CID 14472002

N-(benzo[d][1,3]dioxol-4-yl)-2-chloroacetamide

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
C1OC2=CC=CC(=C2O1)NC(=O)CCl
InChI
InChI=1S/C9H8ClNO3/c10-4-8(12)11-6-2-1-3-7-9(6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChIKey
CRUBVSFVVWJDKV-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-4-yl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01927 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.026546 143.0
[M+Na]+ 236.008488 151.6
[M-H]- 212.011994 148.8
[M+NH4]+ 231.053093 162.4
[M+K]+ 251.982428 150.5
[M+H-H2O]+ 196.016530 138.4
[M+HCOO]- 258.017471 161.0
[M+CH3COO]- 272.033121 184.5
[M+Na-2H]- 233.993936 150.4
[M]+ 213.01872142 146.8
[M]- 213.01981858 146.8
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.