CID 984597

4-bromo-n-(4-bromo-3-methylphenyl)benzamide

Structural Information

Molecular Formula
C14H11Br2NO
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C14H11Br2NO/c1-9-8-12(6-7-13(9)16)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)
InChIKey
GSVSGFNDHCVBEW-UHFFFAOYSA-N
Compound name
4-bromo-N-(4-bromo-3-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.92075 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.92803 159.3
[M+Na]+ 389.90997 168.8
[M-H]- 365.91347 168.2
[M+NH4]+ 384.95457 175.8
[M+K]+ 405.88391 152.9
[M+H-H2O]+ 349.91801 165.9
[M+HCOO]- 411.91895 175.6
[M+CH3COO]- 425.93460 215.2
[M+Na-2H]- 387.89542 164.5
[M]+ 366.92020 192.6
[M]- 366.92130 192.6
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.