CID 20225506

Cycloheptanesulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO2S
SMILES
C1CCCC(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO2S/c8-11(9,10)7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKey
WBIOWMBUZYUUIQ-UHFFFAOYSA-N
Compound name
cycloheptanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

196.03249 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03977 135.7
[M+Na]+ 219.02171 140.5
[M-H]- 195.02521 139.6
[M+NH4]+ 214.06631 154.6
[M+K]+ 234.99565 142.1
[M+H-H2O]+ 179.02975 131.6
[M+HCOO]- 241.03069 145.7
[M+CH3COO]- 255.04634 179.0
[M+Na-2H]- 217.00716 138.5
[M]+ 196.03194 132.1
[M]- 196.03304 132.1
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