CID 735851

227199-07-7

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChIKey
HBIYZYYNHWRQMC-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

41
Patents

213.01927 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe