CID 1490147

N-methyl-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C9H8F3NO
SMILES
CNC(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C9H8F3NO/c1-13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
ORKXMOMDYXMMNG-UHFFFAOYSA-N
Compound name
N-methyl-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

203.0558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 138.2
[M+Na]+ 226.04502 146.5
[M-H]- 202.04852 138.3
[M+NH4]+ 221.08962 157.2
[M+K]+ 242.01896 144.0
[M+H-H2O]+ 186.05306 130.2
[M+HCOO]- 248.05400 158.5
[M+CH3COO]- 262.06965 186.5
[M+Na-2H]- 224.03047 143.6
[M]+ 203.05525 133.6
[M]- 203.05635 133.6
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