CID 67759

2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H6F3NO
SMILES
C1=CC=C(C(=C1)C(=O)N)C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChIKey
QBAYIBZITZBSFO-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

3316
Patents

189.04015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.047426 133.8
[M+Na]+ 212.029368 142.4
[M-H]- 188.032874 133.5
[M+NH4]+ 207.073973 153.0
[M+K]+ 228.003308 139.8
[M+H-H2O]+ 172.037410 126.0
[M+HCOO]- 234.038351 153.8
[M+CH3COO]- 248.054001 183.5
[M+Na-2H]- 210.014816 138.7
[M]+ 189.03960142 127.9
[M]- 189.04069858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe