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 149.3
[M+Na]+ 261.06864 156.2
[M-H]- 237.07214 152.8
[M+NH4]+ 256.11324 168.7
[M+K]+ 277.04258 152.7
[M+H-H2O]+ 221.07668 145.5
[M+HCOO]- 283.07762 157.6
[M+CH3COO]- 297.09327 189.0
[M+Na-2H]- 259.05409 149.0
[M]+ 238.07887 150.6
[M]- 238.07997 150.6
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