CID 16227185

930395-66-7

Structural Information

Molecular Formula
C9H7Cl2NO3
SMILES
C1OC2=C(O1)C=C(C(=C2)NC(=O)CCl)Cl
InChI
InChI=1S/C9H7Cl2NO3/c10-3-9(13)12-6-2-8-7(1-5(6)11)14-4-15-8/h1-2H,3-4H2,(H,12,13)
InChIKey
SDGJAQZTFXWSLN-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.9803 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98758 150.6
[M+Na]+ 269.96952 160.4
[M-H]- 245.97302 155.9
[M+NH4]+ 265.01412 169.2
[M+K]+ 285.94346 157.8
[M+H-H2O]+ 229.97756 146.8
[M+HCOO]- 291.97850 163.4
[M+CH3COO]- 305.99415 190.3
[M+Na-2H]- 267.95497 156.4
[M]+ 246.97975 155.8
[M]- 246.98085 155.8
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.