CID 59567458

Isocyanato(methanesulfonyl)methane

Structural Information

Molecular Formula
C3H5NO3S
SMILES
CS(=O)(=O)CN=C=O
InChI
InChI=1S/C3H5NO3S/c1-8(6,7)3-4-2-5/h3H2,1H3
InChIKey
KLBXRKHTNWQTNR-UHFFFAOYSA-N
Compound name
isocyanato(methylsulfonyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

134.99901 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.00629 121.4
[M+Na]+ 157.98823 130.8
[M-H]- 133.99173 123.9
[M+NH4]+ 153.03283 144.1
[M+K]+ 173.96217 130.2
[M+H-H2O]+ 117.99627 116.8
[M+HCOO]- 179.99721 143.0
[M+CH3COO]- 194.01286 171.4
[M+Na-2H]- 155.97368 127.9
[M]+ 134.99846 125.6
[M]- 134.99956 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

No literature data available for this compound.

Patent stripe

patents stripe