CID 138987593

2649071-18-9

Structural Information

Molecular Formula
C6H10ClNO3S
SMILES
CC1(CC(=NO1)CS(=O)(=O)Cl)C
InChI
InChI=1S/C6H10ClNO3S/c1-6(2)3-5(8-11-6)4-12(7,9)10/h3-4H2,1-2H3
InChIKey
HDPSPXNQQZFJLJ-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00699 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01427 138.0
[M+Na]+ 233.99621 148.9
[M-H]- 209.99971 141.9
[M+NH4]+ 229.04081 159.6
[M+K]+ 249.97015 147.4
[M+H-H2O]+ 194.00425 134.9
[M+HCOO]- 256.00519 150.4
[M+CH3COO]- 270.02084 178.5
[M+Na-2H]- 231.98166 143.3
[M]+ 211.00644 144.1
[M]- 211.00754 144.1
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.