CID 103564835

3-(propan-2-yl)cyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO2S
SMILES
CC(C)C1CC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO2S/c1-5(2)6-3-7(4-6)11(8,9)10/h5-7H,3-4H2,1-2H3
InChIKey
DBLOYVLVNCWPDQ-UHFFFAOYSA-N
Compound name
3-propan-2-ylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03977 131.7
[M+Na]+ 219.02171 138.2
[M-H]- 195.02521 135.4
[M+NH4]+ 214.06631 146.0
[M+K]+ 234.99565 138.4
[M+H-H2O]+ 179.02975 122.7
[M+HCOO]- 241.03069 142.0
[M+CH3COO]- 255.04634 183.8
[M+Na-2H]- 217.00716 133.4
[M]+ 196.03194 143.4
[M]- 196.03304 143.4
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.