CID 478819

2-amino-n-(4-bromophenyl)benzamide

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H11BrN2O/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,15H2,(H,16,17)
InChIKey
SBYUHAPZEIHHNV-UHFFFAOYSA-N
Compound name
2-amino-N-(4-bromophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

290.0055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01278 157.0
[M+Na]+ 312.99472 166.7
[M-H]- 288.99822 165.6
[M+NH4]+ 308.03932 175.1
[M+K]+ 328.96866 154.2
[M+H-H2O]+ 273.00276 154.9
[M+HCOO]- 335.00370 179.6
[M+CH3COO]- 349.01935 201.1
[M+Na-2H]- 310.98017 163.2
[M]+ 290.00495 172.6
[M]- 290.00605 172.6
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