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]+ 195.98298 134.7
[M+Na]+ 217.96492 146.4
[M-H]- 193.96842 139.0
[M+NH4]+ 213.00952 155.1
[M+K]+ 233.93886 144.6
[M+H-H2O]+ 177.97296 130.7
[M+HCOO]- 239.97390 148.9
[M+CH3COO]- 253.98955 175.5
[M+Na-2H]- 215.95037 139.5
[M]+ 194.97515 141.5
[M]- 194.97625 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.