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

62
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 139.2
[M+Na]+ 270.91319 144.0
[M+NH4]+ 265.95779 144.5
[M+K]+ 286.88713 143.6
[M-H]- 246.91669 139.7
[M+Na-2H]- 268.89864 143.3
[M]+ 247.92342 139.2
[M]- 247.92452 139.2
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