CID 54355339

5-methyl-2-(propan-2-yl)cyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H19ClO2S
SMILES
CC1CCC(C(C1)S(=O)(=O)Cl)C(C)C
InChI
InChI=1S/C10H19ClO2S/c1-7(2)9-5-4-8(3)6-10(9)14(11,12)13/h7-10H,4-6H2,1-3H3
InChIKey
UISNFRGVVCUVAH-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.07942 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08670 152.2
[M+Na]+ 261.06864 162.5
[M+NH4]+ 256.11324 160.6
[M+K]+ 277.04258 155.2
[M-H]- 237.07214 152.9
[M+Na-2H]- 259.05409 155.2
[M]+ 238.07887 154.6
[M]- 238.07997 154.6
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

patents stripe