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]+ 214.02655 143.0
[M+Na]+ 236.00849 151.6
[M-H]- 212.01199 148.8
[M+NH4]+ 231.05309 162.4
[M+K]+ 251.98243 150.5
[M+H-H2O]+ 196.01653 138.4
[M+HCOO]- 258.01747 161.0
[M+CH3COO]- 272.03312 184.5
[M+Na-2H]- 233.99394 150.4
[M]+ 213.01872 146.8
[M]- 213.01982 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.