CID 16226742

869716-08-5

Structural Information

Molecular Formula
C8H13ClN2O4S
SMILES
C1CS(=O)(=O)CC1CC(=O)NNC(=O)CCl
InChI
InChI=1S/C8H13ClN2O4S/c9-4-8(13)11-10-7(12)3-6-1-2-16(14,15)5-6/h6H,1-5H2,(H,10,12)(H,11,13)
InChIKey
MGCDVZHSWZKVDZ-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-2-(1,1-dioxothiolan-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.02844 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03572 154.8
[M+Na]+ 291.01766 161.3
[M-H]- 267.02116 158.2
[M+NH4]+ 286.06226 175.3
[M+K]+ 306.99160 158.1
[M+H-H2O]+ 251.02570 151.1
[M+HCOO]- 313.02664 169.0
[M+CH3COO]- 327.04229 191.9
[M+Na-2H]- 289.00311 155.7
[M]+ 268.02789 156.9
[M]- 268.02899 156.9
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.