CID 165700207

3-tert-butylbicyclo[1.1.1]pentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
CC(C)(C)C12CC(C1)(C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c1-7(2,3)8-4-9(5-8,6-8)13(10,11)12/h4-6H2,1-3H3
InChIKey
BOFWPTAIRPDQAN-UHFFFAOYSA-N
Compound name
3-tert-butylbicyclo[1.1.1]pentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 152.5
[M+Na]+ 245.03735 156.1
[M-H]- 221.04085 154.9
[M+NH4]+ 240.08195 158.1
[M+K]+ 261.01129 160.3
[M+H-H2O]+ 205.04539 140.9
[M+HCOO]- 267.04633 156.4
[M+CH3COO]- 281.06198 211.2
[M+Na-2H]- 243.02280 159.2
[M]+ 222.04758 180.4
[M]- 222.04868 180.4
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.