CID 7329

Fenticlor

Structural Information

Molecular Formula
C12H8Cl2O2S
SMILES
C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H
InChIKey
ANUSOIHIIPAHJV-UHFFFAOYSA-N
Compound name
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

431
References

30674
Patents

285.96222 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96950 153.2
[M+Na]+ 308.95144 164.4
[M-H]- 284.95494 158.0
[M+NH4]+ 303.99604 170.2
[M+K]+ 324.92538 156.9
[M+H-H2O]+ 268.95948 149.4
[M+HCOO]- 330.96042 161.1
[M+CH3COO]- 344.97607 165.5
[M+Na-2H]- 306.93689 154.9
[M]+ 285.96167 157.8
[M]- 285.96277 157.8
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