CID 56828033

(3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO3S
SMILES
CC1=NOC(=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO3S/c1-4-2-5(10-7-4)3-11(6,8)9/h2H,3H2,1H3
InChIKey
FDPJZSWTOPFDNI-UHFFFAOYSA-N
Compound name
(3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.9757 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.982976 134.7
[M+Na]+ 217.964918 146.4
[M-H]- 193.968424 139.0
[M+NH4]+ 213.009523 155.1
[M+K]+ 233.938858 144.6
[M+H-H2O]+ 177.972960 130.7
[M+HCOO]- 239.973901 148.9
[M+CH3COO]- 253.989551 175.5
[M+Na-2H]- 215.950366 139.5
[M]+ 194.97515142 141.5
[M]- 194.97624858 141.5
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.