CID 68515

4-bromobenzoyl chloride

Structural Information

Molecular Formula
C7H4BrClO
SMILES
C1=CC(=CC=C1C(=O)Cl)Br
InChI
InChI=1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey
DENKGPBHLYFNGK-UHFFFAOYSA-N
Compound name
4-bromobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

6206
Patents

217.9134 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.920676 131.9
[M+Na]+ 240.902618 145.3
[M-H]- 216.906124 138.6
[M+NH4]+ 235.947223 155.0
[M+K]+ 256.876558 133.1
[M+H-H2O]+ 200.910660 133.7
[M+HCOO]- 262.911601 149.7
[M+CH3COO]- 276.927251 182.9
[M+Na-2H]- 238.888066 140.1
[M]+ 217.91285142 152.0
[M]- 217.91394858 152.0
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