CID 68429331

N-hydroxymethyl-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C9H8F3NO2
SMILES
C1=CC=C(C(=C1)C(=O)NCO)C(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c10-9(11,12)7-4-2-1-3-6(7)8(15)13-5-14/h1-4,14H,5H2,(H,13,15)
InChIKey
RSMZZGBPWXHZOR-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

219.05072 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05800 147.2
[M+Na]+ 242.03994 154.6
[M+NH4]+ 237.08454 151.8
[M+K]+ 258.01388 150.7
[M-H]- 218.04344 143.4
[M+Na-2H]- 240.02539 150.4
[M]+ 219.05017 146.7
[M]- 219.05127 146.7
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

patents stripe