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]+ 169.00845 125.7
[M+Na]+ 190.99039 137.2
[M-H]- 166.99389 131.2
[M+NH4]+ 186.03499 144.7
[M+K]+ 206.96433 134.5
[M+H-H2O]+ 150.99843 122.9
[M+HCOO]- 212.99937 139.2
[M+CH3COO]- 227.01502 177.2
[M+Na-2H]- 188.97584 131.5
[M]+ 168.00062 132.9
[M]- 168.00172 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