CID 9595

N-(3-(trifluoromethyl)phenyl)acetamide

Structural Information

Molecular Formula
C9H8F3NO
SMILES
CC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
HNIPNANLYHXYDE-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

383
Patents

203.0558 Da
Monoisotopic Mass

2.6
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