CID 145866917

2172527-68-1

Structural Information

Molecular Formula
C8H13ClO2S
SMILES
C1CC(C1)C2CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO2S/c9-12(10,11)8-4-7(5-8)6-2-1-3-6/h6-8H,1-5H2
InChIKey
IWOBJURPHKKZGH-UHFFFAOYSA-N
Compound name
3-cyclobutylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03249 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03977 121.0
[M+Na]+ 231.02171 125.2
[M-H]- 207.02521 126.5
[M+NH4]+ 226.06631 127.6
[M+K]+ 246.99565 127.8
[M+H-H2O]+ 191.02975 107.0
[M+HCOO]- 253.03069 130.2
[M+CH3COO]- 267.04634 193.3
[M+Na-2H]- 229.00716 123.8
[M]+ 208.03194 138.3
[M]- 208.03304 138.3
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.