CID 2774982

2-chloro-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
COC1=C(C(=C(C=C1)C(=O)N)Cl)OC
InChI
InChI=1S/C9H10ClNO3/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H2,11,12)
InChIKey
RTGUEWMXSKEOOA-UHFFFAOYSA-N
Compound name
2-chloro-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

215.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 141.5
[M+Na]+ 238.02415 151.5
[M-H]- 214.02765 145.5
[M+NH4]+ 233.06875 161.1
[M+K]+ 253.99809 148.8
[M+H-H2O]+ 198.03219 136.8
[M+HCOO]- 260.03313 161.8
[M+CH3COO]- 274.04878 189.0
[M+Na-2H]- 236.00960 145.2
[M]+ 215.03438 145.9
[M]- 215.03548 145.9
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