CID 4568113

5-bromo-2-methoxybenzoyl chloride

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
COC1=C(C=C(C=C1)Br)C(=O)Cl
InChI
InChI=1S/C8H6BrClO2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3
InChIKey
JBDMIOCVPSFJPW-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

247.92397 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93125 138.3
[M+Na]+ 270.91319 152.0
[M-H]- 246.91669 145.2
[M+NH4]+ 265.95779 160.5
[M+K]+ 286.88713 140.1
[M+H-H2O]+ 230.92123 139.8
[M+HCOO]- 292.92217 156.0
[M+CH3COO]- 306.93782 188.6
[M+Na-2H]- 268.89864 145.3
[M]+ 247.92342 160.5
[M]- 247.92452 160.5
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