CID 64182268

3-(benzyloxy)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO3S
SMILES
C1=CC=C(C=C1)COCCCS(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO3S/c11-15(12,13)8-4-7-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
ICZKDAAHKLNTCA-UHFFFAOYSA-N
Compound name
3-phenylmethoxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03467 150.4
[M+Na]+ 271.01661 159.0
[M-H]- 247.02011 154.3
[M+NH4]+ 266.06121 169.1
[M+K]+ 286.99055 154.7
[M+H-H2O]+ 231.02465 145.5
[M+HCOO]- 293.02559 164.4
[M+CH3COO]- 307.04124 186.7
[M+Na-2H]- 269.00206 155.1
[M]+ 248.02684 157.1
[M]- 248.02794 157.1
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

No patent data available for this compound.