CID 115046417

2-methoxy-3-phenylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO3S
SMILES
COC(CC1=CC=CC=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO3S/c1-14-10(8-15(11,12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
QQNSHDVLPJGPLL-UHFFFAOYSA-N
Compound name
2-methoxy-3-phenylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03467 152.2
[M+Na]+ 271.01661 164.1
[M+NH4]+ 266.06121 160.2
[M+K]+ 286.99055 156.2
[M-H]- 247.02011 152.9
[M+Na-2H]- 269.00206 157.8
[M]+ 248.02684 154.8
[M]- 248.02794 154.8
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

No patent data available for this compound.