CID 13277554

Ethanesulfonyl isocyanate

Structural Information

Molecular Formula
C3H5NO3S
SMILES
CCS(=O)(=O)N=C=O
InChI
InChI=1S/C3H5NO3S/c1-2-8(6,7)4-3-5/h2H2,1H3
InChIKey
SFWQPYSIXMKRKF-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

134.99901 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.006286 121.4
[M+Na]+ 157.988228 130.8
[M-H]- 133.991734 123.9
[M+NH4]+ 153.032833 144.1
[M+K]+ 173.962168 130.2
[M+H-H2O]+ 117.996270 116.8
[M+HCOO]- 179.997211 143.0
[M+CH3COO]- 194.012861 171.4
[M+Na-2H]- 155.973676 127.9
[M]+ 134.99846142 125.6
[M]- 134.99955858 125.6
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