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 151.0
[M+Na]+ 261.06864 157.8
[M-H]- 237.07214 154.4
[M+NH4]+ 256.11324 170.4
[M+K]+ 277.04258 154.3
[M+H-H2O]+ 221.07668 147.3
[M+HCOO]- 283.07762 158.9
[M+CH3COO]- 297.09327 186.7
[M+Na-2H]- 259.05409 153.2
[M]+ 238.07887 151.9
[M]- 238.07997 151.9
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