CID 145915363

2402830-61-7

Structural Information

Molecular Formula
C11H16Cl2O2S
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C11H16Cl2O2S/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-16(13,14)15/h8-9H,1-7H2
InChIKey
BQRQUKJKJCAXNZ-UHFFFAOYSA-N
Compound name
(3-chloro-1-adamantyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0248 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03208 162.8
[M+Na]+ 305.01402 168.3
[M-H]- 281.01752 158.0
[M+NH4]+ 300.05862 189.1
[M+K]+ 320.98796 163.9
[M+H-H2O]+ 265.02206 160.9
[M+HCOO]- 327.02300 156.3
[M+CH3COO]- 341.03865 171.1
[M+Na-2H]- 302.99947 174.4
[M]+ 282.02425 169.3
[M]- 282.02535 169.3
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.