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

2
Patents

238.07942 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.086696 151.0
[M+Na]+ 261.068638 157.8
[M-H]- 237.072144 154.4
[M+NH4]+ 256.113243 170.4
[M+K]+ 277.042578 154.3
[M+H-H2O]+ 221.076680 147.3
[M+HCOO]- 283.077621 158.9
[M+CH3COO]- 297.093271 186.7
[M+Na-2H]- 259.054086 153.2
[M]+ 238.07887142 151.9
[M]- 238.07996858 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