CID 71757010

2-methoxypropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H9ClO3S
SMILES
CC(CS(=O)(=O)Cl)OC
InChI
InChI=1S/C4H9ClO3S/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3
InChIKey
YSUQEHZXWOVZCU-UHFFFAOYSA-N
Compound name
2-methoxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.9961 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.003376 129.0
[M+Na]+ 194.985318 138.1
[M-H]- 170.988824 130.2
[M+NH4]+ 190.029923 150.8
[M+K]+ 210.959258 136.3
[M+H-H2O]+ 154.993360 126.0
[M+HCOO]- 216.994301 142.1
[M+CH3COO]- 231.009951 174.3
[M+Na-2H]- 192.970766 132.8
[M]+ 171.99555142 135.1
[M]- 171.99664858 135.1
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