CID 21904776

4-bromo-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H5BrF3NO
SMILES
C1=CC(=C(C=C1C(=O)N)C(F)(F)F)Br
InChI
InChI=1S/C8H5BrF3NO/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H2,13,14)
InChIKey
YTSXRPUFRAARJT-UHFFFAOYSA-N
Compound name
4-bromo-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

266.95065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.95793 149.0
[M+Na]+ 289.93987 161.2
[M-H]- 265.94337 151.5
[M+NH4]+ 284.98447 168.7
[M+K]+ 305.91381 149.1
[M+H-H2O]+ 249.94791 146.5
[M+HCOO]- 311.94885 166.4
[M+CH3COO]- 325.96450 194.4
[M+Na-2H]- 287.92532 153.6
[M]+ 266.95010 162.0
[M]- 266.95120 162.0
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