CID 146048616

{bicyclo[1.1.1]pentan-1-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C6H9ClO2S
SMILES
C1C2CC1(C2)CS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO2S/c7-10(8,9)4-6-1-5(2-6)3-6/h5H,1-4H2
InChIKey
GXCMLLUFEUPDAI-UHFFFAOYSA-N
Compound name
1-bicyclo[1.1.1]pentanylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00117 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00845 131.9
[M+Na]+ 202.99039 135.8
[M-H]- 178.99389 134.3
[M+NH4]+ 198.03499 137.3
[M+K]+ 218.96433 140.7
[M+H-H2O]+ 162.99843 118.9
[M+HCOO]- 224.99937 138.0
[M+CH3COO]- 239.01502 205.1
[M+Na-2H]- 200.97584 138.9
[M]+ 180.00062 159.4
[M]- 180.00172 159.4
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.