CID 62937989

3-phenoxypropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO3S
SMILES
C1=CC=C(C=C1)OCCCS(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO3S/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
KQQXONXRBRPWRN-UHFFFAOYSA-N
Compound name
3-phenoxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.01175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.019026 145.9
[M+Na]+ 257.000968 154.9
[M-H]- 233.004474 149.9
[M+NH4]+ 252.045573 165.1
[M+K]+ 272.974908 150.8
[M+H-H2O]+ 217.009010 141.2
[M+HCOO]- 279.009951 160.2
[M+CH3COO]- 293.025601 183.7
[M+Na-2H]- 254.986416 151.1
[M]+ 234.01120142 152.2
[M]- 234.01229858 152.2
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