CID 603204

4-bromobenzoic anhydride

Structural Information

Molecular Formula

C₁₄H₈Br₂O₃

SMILES

C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C14H8Br2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H

InChIKey

IUILGHBUWUXVBP-UHFFFAOYSA-N

Compound name

(4-bromobenzoyl) 4-bromobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 381.88403 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.89131	159.4
[M+Na]+	404.87325	168.9
[M-H]-	380.87675	168.4
[M+NH4]+	399.91785	175.5
[M+K]+	420.84719	154.5
[M+H-H2O]+	364.88129	166.8
[M+HCOO]-	426.88223	174.8
[M+CH3COO]-	440.89788	213.3
[M+Na-2H]-	402.85870	164.3
[M]+	381.88348	194.3
[M]-	381.88458	194.3

Literature stripe

literature stripe

Patent stripe

patents stripe