CID 514859

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

Structural Information

Molecular Formula
C13H10Cl2O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2O3S/c1-19(16,17)11-5-2-9(3-6-11)18-10-4-7-12(14)13(15)8-10/h2-8H,1H3
InChIKey
MFQXXGHKVMJVCU-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(4-methylsulfonylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

315.97278 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98006 162.4
[M+Na]+ 338.96200 173.9
[M-H]- 314.96550 170.0
[M+NH4]+ 334.00660 179.3
[M+K]+ 354.93594 167.7
[M+H-H2O]+ 298.97004 157.7
[M+HCOO]- 360.97098 172.0
[M+CH3COO]- 374.98663 199.3
[M+Na-2H]- 336.94745 165.8
[M]+ 315.97223 170.2
[M]- 315.97333 170.2
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