CID 46322

Stop-mold

Structural Information

Molecular Formula
C12H9ClO
SMILES
C1=CC=C(C=C1)C2=C(C=CC=C2Cl)O
InChI
InChI=1S/C12H9ClO/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,14H
InChIKey
KPFPEXKMIDAQNO-UHFFFAOYSA-N
Compound name
3-chloro-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

520
Patents

204.0342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04148 140.7
[M+Na]+ 227.02342 157.8
[M+NH4]+ 222.06802 151.2
[M+K]+ 242.99736 148.8
[M-H]- 203.02692 146.2
[M+Na-2H]- 225.00887 151.7
[M]+ 204.03365 145.3
[M]- 204.03475 145.3
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

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