CID 531830

158525-82-7

Structural Information

Molecular Formula
C14H12BrNO
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrNO/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17)
InChIKey
LDZAMVJRGBUYEO-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

289.01022 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.01750 157.2
[M+Na]+ 311.99944 167.5
[M-H]- 288.00294 166.4
[M+NH4]+ 307.04404 176.1
[M+K]+ 327.97338 155.5
[M+H-H2O]+ 272.00748 155.9
[M+HCOO]- 334.00842 179.3
[M+CH3COO]- 348.02407 199.8
[M+Na-2H]- 309.98489 163.7
[M]+ 289.00967 175.0
[M]- 289.01077 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