CID 514860

Benzene, 1,2-dichloro-4-(4-(phenylsulfonyl)phenoxy)-

Structural Information

Molecular Formula
C18H12Cl2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2O3S/c19-17-11-8-14(12-18(17)20)23-13-6-9-16(10-7-13)24(21,22)15-4-2-1-3-5-15/h1-12H
InChIKey
VDTGPPSVTMXIDT-UHFFFAOYSA-N
Compound name
4-[4-(benzenesulfonyl)phenoxy]-1,2-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

377.98843 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.99571 181.0
[M+Na]+ 400.97765 191.8
[M-H]- 376.98115 191.1
[M+NH4]+ 396.02225 194.8
[M+K]+ 416.95159 184.4
[M+H-H2O]+ 360.98569 174.2
[M+HCOO]- 422.98663 190.3
[M+CH3COO]- 437.00228 192.4
[M+Na-2H]- 398.96310 184.3
[M]+ 377.98788 188.2
[M]- 377.98898 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe