CID 2758392

2,3-dimethoxybenzoyl chloride

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=CC=CC(=C1OC)C(=O)Cl
InChI
InChI=1S/C9H9ClO3/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3
InChIKey
JQNBCSPQVSUBSR-UHFFFAOYSA-N
Compound name
2,3-dimethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

727
Patents

200.02402 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 136.1
[M+Na]+ 223.01324 146.1
[M-H]- 199.01674 140.4
[M+NH4]+ 218.05784 156.6
[M+K]+ 238.98718 143.8
[M+H-H2O]+ 183.02128 131.6
[M+HCOO]- 245.02222 156.1
[M+CH3COO]- 259.03787 183.5
[M+Na-2H]- 220.99869 141.5
[M]+ 200.02347 141.9
[M]- 200.02457 141.9
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