CID 84083477

(adamantan-1-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C11H17ClO2S
SMILES
C1C2CC3CC1CC(C2)(C3)CS(=O)(=O)Cl
InChI
InChI=1S/C11H17ClO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKey
GBKHUYXWTUXLBQ-UHFFFAOYSA-N
Compound name
1-adamantylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07106 156.2
[M+Na]+ 271.05300 160.2
[M-H]- 247.05650 151.4
[M+NH4]+ 266.09760 181.7
[M+K]+ 287.02694 156.8
[M+H-H2O]+ 231.06104 153.3
[M+HCOO]- 293.06198 154.2
[M+CH3COO]- 307.07763 164.9
[M+Na-2H]- 269.03845 167.5
[M]+ 248.06323 161.5
[M]- 248.06433 161.5
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.