CID 16642596

100388-99-6

Structural Information

Molecular Formula
C12H15ClO3S
SMILES
C1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H15ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKey
AONQJPGUSNTRTD-UHFFFAOYSA-N
Compound name
4-cyclohexyloxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04303 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05031 157.2
[M+Na]+ 297.03225 164.2
[M-H]- 273.03575 163.6
[M+NH4]+ 292.07685 174.5
[M+K]+ 313.00619 159.8
[M+H-H2O]+ 257.04029 151.6
[M+HCOO]- 319.04123 167.9
[M+CH3COO]- 333.05688 190.6
[M+Na-2H]- 295.01770 160.3
[M]+ 274.04248 158.6
[M]- 274.04358 158.6
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.