CID 12384176

5-chloro-2-methoxybenzoyl chloride

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)Cl
InChI
InChI=1S/C8H6Cl2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3
InChIKey
JVLUMHRASWENRU-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

362
Patents

203.97449 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98177 134.1
[M+Na]+ 226.96371 145.0
[M-H]- 202.96721 137.9
[M+NH4]+ 222.00831 154.9
[M+K]+ 242.93765 140.8
[M+H-H2O]+ 186.97175 130.8
[M+HCOO]- 248.97269 149.1
[M+CH3COO]- 262.98834 183.2
[M+Na-2H]- 224.94916 139.3
[M]+ 203.97394 139.1
[M]- 203.97504 139.1
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