CID 84083481

2-(adamantan-1-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H19ClO2S
SMILES
C1C2CC3CC1CC(C2)(C3)CCS(=O)(=O)Cl
InChI
InChI=1S/C12H19ClO2S/c13-16(14,15)2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKey
WCJAKNLUOZLUOU-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.07944 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08672 160.6
[M+Na]+ 285.06866 164.2
[M-H]- 261.07216 155.6
[M+NH4]+ 280.11326 185.6
[M+K]+ 301.04260 160.6
[M+H-H2O]+ 245.07670 157.5
[M+HCOO]- 307.07764 158.2
[M+CH3COO]- 321.09329 168.9
[M+Na-2H]- 283.05411 171.5
[M]+ 262.07889 166.2
[M]- 262.07999 166.2
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.