CID 13971496

2-chloroprop-2-ene-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H4Cl2O2S
SMILES
C=C(CS(=O)(=O)Cl)Cl
InChI
InChI=1S/C3H4Cl2O2S/c1-3(4)2-8(5,6)7/h1-2H2
InChIKey
QRMCMHTWSHURKV-UHFFFAOYSA-N
Compound name
2-chloroprop-2-ene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.93091 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93819 125.8
[M+Na]+ 196.92013 135.9
[M-H]- 172.92363 126.9
[M+NH4]+ 191.96473 147.8
[M+K]+ 212.89407 131.8
[M+H-H2O]+ 156.92817 124.2
[M+HCOO]- 218.92911 134.1
[M+CH3COO]- 232.94476 173.3
[M+Na-2H]- 194.90558 129.4
[M]+ 173.93036 130.0
[M]- 173.93146 130.0
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