CID 2773855

5-chloro-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H5ClF3NO
SMILES
C1=CC(=C(C=C1Cl)C(=O)N)C(F)(F)F
InChI
InChI=1S/C8H5ClF3NO/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H2,13,14)
InChIKey
GHXSHBPNICIQJS-UHFFFAOYSA-N
Compound name
5-chloro-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00117 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00845 138.7
[M+Na]+ 245.99039 149.0
[M-H]- 221.99389 138.6
[M+NH4]+ 241.03499 157.6
[M+K]+ 261.96433 144.4
[M+H-H2O]+ 205.99843 131.9
[M+HCOO]- 267.99937 154.1
[M+CH3COO]- 282.01502 188.5
[M+Na-2H]- 243.97584 142.5
[M]+ 223.00062 135.3
[M]- 223.00172 135.3
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.