CID 105466435

2-cyclobutyl-2-methoxyethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
COC(CS(=O)(=O)Cl)C1CCC1
InChI
InChI=1S/C7H13ClO3S/c1-11-7(5-12(8,9)10)6-3-2-4-6/h6-7H,2-5H2,1H3
InChIKey
UVPJXGJDCPLPNN-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-methoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03467 134.6
[M+Na]+ 235.01661 140.1
[M-H]- 211.02011 137.9
[M+NH4]+ 230.06121 147.9
[M+K]+ 250.99055 140.8
[M+H-H2O]+ 195.02465 125.1
[M+HCOO]- 257.02559 145.3
[M+CH3COO]- 271.04124 184.6
[M+Na-2H]- 233.00206 137.1
[M]+ 212.02684 147.4
[M]- 212.02794 147.4
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.