CID 42815

Brn 2164208

Structural Information

Molecular Formula
C15H11BrF3NO2
SMILES
CC1=CC(=CC(=C1O)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Br
InChI
InChI=1S/C15H11BrF3NO2/c1-8-5-10(16)7-12(13(8)21)14(22)20-11-4-2-3-9(6-11)15(17,18)19/h2-7,21H,1H3,(H,20,22)
InChIKey
SZMASSYHNSMZHM-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.99252 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.99980 178.0
[M+Na]+ 395.98174 189.3
[M-H]- 371.98524 182.5
[M+NH4]+ 391.02634 193.2
[M+K]+ 411.95568 176.0
[M+H-H2O]+ 355.98978 174.1
[M+HCOO]- 417.99072 193.7
[M+CH3COO]- 432.00637 211.9
[M+Na-2H]- 393.96719 180.5
[M]+ 372.99197 192.3
[M]- 372.99307 192.3
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.