CID 853729

N-(3-bromophenyl)-4-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.01022 Da
Monoisotopic Mass

4.3
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

No literature data available for this compound.

Patent stripe

patents stripe