CID 138991158

2649003-89-2

Structural Information

Molecular Formula
C5H8ClNO3S
SMILES
CC1CC(=NO1)CS(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO3S/c1-4-2-5(7-10-4)3-11(6,8)9/h4H,2-3H2,1H3
InChIKey
JTKGGZQWEPFPGV-UHFFFAOYSA-N
Compound name
(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.99135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99863 136.4
[M+Na]+ 219.98057 147.0
[M-H]- 195.98407 140.2
[M+NH4]+ 215.02517 156.6
[M+K]+ 235.95451 145.4
[M+H-H2O]+ 179.98861 132.3
[M+HCOO]- 241.98955 149.0
[M+CH3COO]- 256.00520 175.9
[M+Na-2H]- 217.96602 140.3
[M]+ 196.99080 141.7
[M]- 196.99190 141.7
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

No patent data available for this compound.