CID 254019

3-chloro-2,3-dihydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C4H5ClO2S
SMILES
C1C(C=CS1(=O)=O)Cl
InChI
InChI=1S/C4H5ClO2S/c5-4-1-2-8(6,7)3-4/h1-2,4H,3H2
InChIKey
MSWJZKFRTYHAJD-UHFFFAOYSA-N
Compound name
3-chloro-2,3-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

151.96988 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.977156 122.8
[M+Na]+ 174.959098 134.4
[M-H]- 150.962604 127.7
[M+NH4]+ 170.003703 149.3
[M+K]+ 190.933038 131.4
[M+H-H2O]+ 134.967140 120.5
[M+HCOO]- 196.968081 139.2
[M+CH3COO]- 210.983731 167.6
[M+Na-2H]- 172.944546 127.2
[M]+ 151.96933142 126.4
[M]- 151.97042858 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe