CID 5142093

3-(4-methoxyphenoxy)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO4S
SMILES
COC1=CC=C(C=C1)OCCCS(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO4S/c1-14-9-3-5-10(6-4-9)15-7-2-8-16(11,12)13/h3-6H,2,7-8H2,1H3
InChIKey
UFZBQBXKJZWBBV-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenoxy)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

264.0223 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02958 152.7
[M+Na]+ 287.01152 161.9
[M-H]- 263.01502 156.9
[M+NH4]+ 282.05612 170.9
[M+K]+ 302.98546 158.2
[M+H-H2O]+ 247.01956 147.8
[M+HCOO]- 309.02050 166.9
[M+CH3COO]- 323.03615 189.9
[M+Na-2H]- 284.99697 157.0
[M]+ 264.02175 161.2
[M]- 264.02285 161.2
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