CID 132327758

4-cyclopropylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO2S
SMILES
C1CC1CCCCS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO2S/c8-11(9,10)6-2-1-3-7-4-5-7/h7H,1-6H2
InChIKey
WTAWFYBYFQCSCZ-UHFFFAOYSA-N
Compound name
4-cyclopropylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03249 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03977 135.6
[M+Na]+ 219.02171 145.2
[M-H]- 195.02521 140.2
[M+NH4]+ 214.06631 151.5
[M+K]+ 234.99565 141.0
[M+H-H2O]+ 179.02975 130.7
[M+HCOO]- 241.03069 149.1
[M+CH3COO]- 255.04634 182.3
[M+Na-2H]- 217.00716 139.6
[M]+ 196.03194 142.8
[M]- 196.03304 142.8
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