CID 138396436

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

Structural Information

Molecular Formula
C26H18ClF9N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=C(C(=CC=C2)N(C)C(=O)C3=C(C=C(C=C3)F)Cl)F)C)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C26H18ClF9N2O2/c1-12-9-14(24(30,25(31,32)33)26(34,35)36)10-13(2)21(12)37-22(39)17-5-4-6-19(20(17)29)38(3)23(40)16-8-7-15(28)11-18(16)27/h4-11H,1-3H3,(H,37,39)
InChIKey
OYWNCANTEISSJB-UHFFFAOYSA-N
Compound name
3-[(2-chloro-4-fluorobenzoyl)-methylamino]-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.0913 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.09858 212.3
[M+Na]+ 619.08052 214.2
[M+NH4]+ 614.12512 211.2
[M+K]+ 635.05446 210.9
[M-H]- 595.08402 207.1
[M+Na-2H]- 617.06597 211.0
[M]+ 596.09075 210.9
[M]- 596.09185 210.9
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.