CID 137944046

2,2-dimethylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO2S
SMILES
CC1(CC1S(=O)(=O)Cl)C
InChI
InChI=1S/C5H9ClO2S/c1-5(2)3-4(5)9(6,7)8/h4H,3H2,1-2H3
InChIKey
XRMNKROTRKJNLT-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.00117 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008446 125.7
[M+Na]+ 190.990388 137.2
[M-H]- 166.993894 131.2
[M+NH4]+ 186.034993 144.7
[M+K]+ 206.964328 134.5
[M+H-H2O]+ 150.998430 122.9
[M+HCOO]- 212.999371 139.2
[M+CH3COO]- 227.015021 177.2
[M+Na-2H]- 188.975836 131.5
[M]+ 168.00062142 132.9
[M]- 168.00171858 132.9
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

patents stripe