CID 4961616

793716-01-5

Structural Information

Molecular Formula
C7H11ClN2O4S
SMILES
C1CS(=O)(=O)CC1NC(=O)NC(=O)CCl
InChI
InChI=1S/C7H11ClN2O4S/c8-3-6(11)10-7(12)9-5-1-2-15(13,14)4-5/h5H,1-4H2,(H2,9,10,11,12)
InChIKey
IDJVUDPXXRWYED-UHFFFAOYSA-N
Compound name
2-chloro-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0128 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02008 150.4
[M+Na]+ 277.00202 157.4
[M-H]- 253.00552 154.1
[M+NH4]+ 272.04662 171.5
[M+K]+ 292.97596 154.4
[M+H-H2O]+ 237.01006 146.9
[M+HCOO]- 299.01100 165.0
[M+CH3COO]- 313.02665 188.9
[M+Na-2H]- 274.98747 151.9
[M]+ 254.01225 152.2
[M]- 254.01335 152.2
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.