CID 12668338

Methanesulfonyl isocyanate

Structural Information

Molecular Formula
C2H3NO3S
SMILES
CS(=O)(=O)N=C=O
InChI
InChI=1S/C2H3NO3S/c1-7(5,6)3-2-4/h1H3
InChIKey
OUPLTJDZPQZRBW-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

120.98337 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.99065 116.9
[M+Na]+ 143.97259 126.7
[M-H]- 119.97609 119.6
[M+NH4]+ 139.01719 140.1
[M+K]+ 159.94653 126.3
[M+H-H2O]+ 103.98063 112.5
[M+HCOO]- 165.98157 138.8
[M+CH3COO]- 179.99722 168.3
[M+Na-2H]- 141.95804 123.9
[M]+ 120.98282 120.7
[M]- 120.98392 120.7
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