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

25
Patents

134.99901 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe