CID 64137242

2,2-dimethyloxane-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
CC1(CC(CCO1)S(=O)(=O)Cl)C
InChI
InChI=1S/C7H13ClO3S/c1-7(2)5-6(3-4-11-7)12(8,9)10/h6H,3-5H2,1-2H3
InChIKey
HDXLCXFLJNOPCN-UHFFFAOYSA-N
Compound name
2,2-dimethyloxane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 138.1
[M+Na]+ 235.01661 146.4
[M-H]- 211.02011 142.7
[M+NH4]+ 230.06121 159.1
[M+K]+ 250.99055 145.1
[M+H-H2O]+ 195.02465 135.4
[M+HCOO]- 257.02559 148.0
[M+CH3COO]- 271.04124 179.6
[M+Na-2H]- 233.00206 143.7
[M]+ 212.02684 140.8
[M]- 212.02794 140.8
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

patents stripe