CID 18510459

4-(4-chlorophenoxy)benzenethiol

Structural Information

Molecular Formula
C12H9ClOS
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)Cl)S
InChI
InChI=1S/C12H9ClOS/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h1-8,15H
InChIKey
AFXSLKKTDUYDIR-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

236.00627 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01355 145.7
[M+Na]+ 258.99549 156.1
[M-H]- 234.99899 153.3
[M+NH4]+ 254.04009 165.3
[M+K]+ 274.96943 150.7
[M+H-H2O]+ 219.00353 140.1
[M+HCOO]- 281.00447 161.4
[M+CH3COO]- 295.02012 159.6
[M+Na-2H]- 256.98094 149.9
[M]+ 236.00572 150.6
[M]- 236.00682 150.6
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