CID 13875042

1-chloro-3-methanesulfonylpropane

Structural Information

Molecular Formula
C4H9ClO2S
SMILES
CS(=O)(=O)CCCCl
InChI
InChI=1S/C4H9ClO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChIKey
YMLUGIXGNODJEE-UHFFFAOYSA-N
Compound name
1-chloro-3-methylsulfonylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

156.00117 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.008446 126.5
[M+Na]+ 178.990388 136.1
[M-H]- 154.993894 127.7
[M+NH4]+ 174.034993 149.1
[M+K]+ 194.964328 133.4
[M+H-H2O]+ 138.998430 123.6
[M+HCOO]- 200.999371 140.3
[M+CH3COO]- 215.015021 171.5
[M+Na-2H]- 176.975836 131.3
[M]+ 156.00062142 131.7
[M]- 156.00171858 131.7
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