CID 74374

3-methoxybenzoyl chloride

Structural Information

Molecular Formula
C8H7ClO2
SMILES
COC1=CC=CC(=C1)C(=O)Cl
InChI
InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey
RUQIUASLAXJZIE-UHFFFAOYSA-N
Compound name
3-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4248
Patents

170.01346 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 129.3
[M+Na]+ 193.00268 138.9
[M-H]- 169.00618 133.4
[M+NH4]+ 188.04728 150.8
[M+K]+ 208.97662 136.2
[M+H-H2O]+ 153.01072 125.0
[M+HCOO]- 215.01166 149.4
[M+CH3COO]- 229.02731 177.3
[M+Na-2H]- 190.98813 135.9
[M]+ 170.01291 132.9
[M]- 170.01401 132.9
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