CID 138396426

2,4-difluoro-n-(2-fluoro-5-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

Structural Information

Molecular Formula
C25H16F10N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)F)F)C)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C25H16F10N2O2/c1-11-7-14(23(29,24(30,31)32)25(33,34)35)8-12(2)20(11)37-21(38)13-3-6-17(27)19(9-13)36-22(39)16-5-4-15(26)10-18(16)28/h3-10H,1-2H3,(H,36,39)(H,37,38)
InChIKey
SDKDALZHDBASEW-UHFFFAOYSA-N
Compound name
3-[(2,4-difluorobenzoyl)amino]-4-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

566.1052 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.11248 228.3
[M+Na]+ 589.09442 237.8
[M-H]- 565.09792 226.3
[M+NH4]+ 584.13902 232.1
[M+K]+ 605.06836 230.1
[M+H-H2O]+ 549.10246 211.0
[M+HCOO]- 611.10340 235.0
[M+CH3COO]- 625.11905 258.0
[M+Na-2H]- 587.07987 223.6
[M]+ 566.10465 216.3
[M]- 566.10575 216.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.