CID 3062179

80364-71-2

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
COC1=CC=CC(=C1OC)CNC(=O)CCl
InChI
InChI=1S/C11H14ClNO3/c1-15-9-5-3-4-8(11(9)16-2)7-13-10(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
FDTHPPDALZURBA-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06622 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 151.0
[M+Na]+ 266.05544 159.3
[M-H]- 242.05894 154.8
[M+NH4]+ 261.10004 169.5
[M+K]+ 282.02938 156.4
[M+H-H2O]+ 226.06348 145.6
[M+HCOO]- 288.06442 171.3
[M+CH3COO]- 302.08007 193.7
[M+Na-2H]- 264.04089 155.4
[M]+ 243.06567 156.7
[M]- 243.06677 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.