CID 207058

M-isophthalotoluidide, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-4-hydroxy-

Structural Information

Molecular Formula
C22H14F6N2O3
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H14F6N2O3/c23-21(24,25)13-3-1-5-15(10-13)29-19(32)12-7-8-18(31)17(9-12)20(33)30-16-6-2-4-14(11-16)22(26,27)28/h1-11,31H,(H,29,32)(H,30,33)
InChIKey
PBMASPAGPGDPIZ-UHFFFAOYSA-N
Compound name
4-hydroxy-1-N,3-N-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.09085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.09813 198.7
[M+Na]+ 491.08007 203.3
[M+NH4]+ 486.12467 199.1
[M+K]+ 507.05401 199.6
[M-H]- 467.08357 194.5
[M+Na-2H]- 489.06552 200.8
[M]+ 468.09030 197.6
[M]- 468.09140 197.6
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.