CID 514883

99902-91-7

Structural Information

Molecular Formula
C13H11ClO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H11ClO3S/c1-18(15,16)13-7-5-11(6-8-13)17-12-4-2-3-10(14)9-12/h2-9H,1H3
InChIKey
DLMKHJPFUNIGAJ-UHFFFAOYSA-N
Compound name
1-chloro-3-(4-methylsulfonylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.01175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01903 157.6
[M+Na]+ 305.00097 168.1
[M-H]- 281.00447 165.4
[M+NH4]+ 300.04557 175.1
[M+K]+ 320.97491 162.9
[M+H-H2O]+ 265.00901 151.9
[M+HCOO]- 327.00995 172.2
[M+CH3COO]- 341.02560 193.7
[M+Na-2H]- 302.98642 162.2
[M]+ 282.01120 163.9
[M]- 282.01230 163.9
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.