CID 20348391

Propane-2-sulfonyl isocyanate

Structural Information

Molecular Formula
C4H7NO3S
SMILES
CC(C)S(=O)(=O)N=C=O
InChI
InChI=1S/C4H7NO3S/c1-4(2)9(7,8)5-3-6/h4H,1-2H3
InChIKey
ZLPCARWBHSCIGF-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)propane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

149.01466 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 125.8
[M+Na]+ 172.00388 134.5
[M-H]- 148.00738 128.3
[M+NH4]+ 167.04848 147.9
[M+K]+ 187.97782 134.1
[M+H-H2O]+ 132.01192 121.1
[M+HCOO]- 194.01286 146.1
[M+CH3COO]- 208.02851 175.2
[M+Na-2H]- 169.98933 130.8
[M]+ 149.01411 129.8
[M]- 149.01521 129.8
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

patents stripe