CID 710592

303991-47-1

Structural Information

Molecular Formula
C14H12BrNO
SMILES
CC1=CC=CC=C1NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C14H12BrNO/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15/h2-9H,1H3,(H,16,17)
InChIKey
OFBSLVLRQPIIMG-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

289.01022 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.017496 157.2
[M+Na]+ 311.999438 167.5
[M-H]- 288.002944 166.4
[M+NH4]+ 307.044043 176.1
[M+K]+ 327.973378 155.5
[M+H-H2O]+ 272.007480 155.9
[M+HCOO]- 334.008421 179.3
[M+CH3COO]- 348.024071 199.8
[M+Na-2H]- 309.984886 163.7
[M]+ 289.00967142 175.0
[M]- 289.01076858 175.0
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