CID 105466432

(3-methyloxan-3-yl)methanesulfonylchloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
CC1(CCCOC1)CS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO3S/c1-7(6-12(8,9)10)3-2-4-11-5-7/h2-6H2,1H3
InChIKey
QTUJFJIEEUWUQN-UHFFFAOYSA-N
Compound name
(3-methyloxan-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03467 139.2
[M+Na]+ 235.01661 146.7
[M-H]- 211.02011 143.4
[M+NH4]+ 230.06121 159.9
[M+K]+ 250.99055 145.3
[M+H-H2O]+ 195.02465 136.2
[M+HCOO]- 257.02559 149.2
[M+CH3COO]- 271.04124 178.4
[M+Na-2H]- 233.00206 145.3
[M]+ 212.02684 141.5
[M]- 212.02794 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.