CID 153917489

3-methylfuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClO3S
SMILES
CC1=C(OC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClO3S/c1-4-2-3-9-5(4)10(6,7)8/h2-3H,1H3
InChIKey
XCKGHPXWCMNKHV-UHFFFAOYSA-N
Compound name
3-methylfuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.9648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.972076 130.7
[M+Na]+ 202.954018 142.4
[M-H]- 178.957524 136.5
[M+NH4]+ 197.998623 153.1
[M+K]+ 218.927958 140.6
[M+H-H2O]+ 162.962060 127.7
[M+HCOO]- 224.963001 146.1
[M+CH3COO]- 238.978651 172.9
[M+Na-2H]- 200.939466 135.8
[M]+ 179.96425142 137.2
[M]- 179.96534858 137.2
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