CID 62085984

4-tert-butylcyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H19ClO2S
SMILES
CC(C)(C)C1CCC(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C10H19ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h8-9H,4-7H2,1-3H3
InChIKey
RJTDPWKVIGNKDW-UHFFFAOYSA-N
Compound name
4-tert-butylcyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07942 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08670 154.2
[M+Na]+ 261.06864 164.2
[M+NH4]+ 256.11324 162.5
[M+K]+ 277.04258 157.0
[M-H]- 237.07214 154.4
[M+Na-2H]- 259.05409 157.6
[M]+ 238.07887 156.5
[M]- 238.07997 156.5
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.