CID 2776958

2,4,5-trifluorobenzamide

Structural Information

Molecular Formula
C7H4F3NO
SMILES
C1=C(C(=CC(=C1F)F)F)C(=O)N
InChI
InChI=1S/C7H4F3NO/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H2,11,12)
InChIKey
YQRPJVUZSKXCJN-UHFFFAOYSA-N
Compound name
2,4,5-trifluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

175.0245 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.031776 128.3
[M+Na]+ 198.013718 138.6
[M-H]- 174.017224 128.6
[M+NH4]+ 193.058323 148.4
[M+K]+ 213.987658 135.9
[M+H-H2O]+ 158.021760 120.5
[M+HCOO]- 220.022701 150.1
[M+CH3COO]- 234.038351 183.2
[M+Na-2H]- 195.999166 131.6
[M]+ 175.02395142 123.4
[M]- 175.02504858 123.4
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