CID 11381

3-phenylphenol

Structural Information

Molecular Formula
C12H10O
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
InChIKey
UBXYXCRCOKCZIT-UHFFFAOYSA-N
Compound name
3-phenylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

10067
Patents

170.07317 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.080446 133.7
[M+Na]+ 193.062388 141.8
[M-H]- 169.065894 139.5
[M+NH4]+ 188.106993 153.4
[M+K]+ 209.036328 138.0
[M+H-H2O]+ 153.070430 127.4
[M+HCOO]- 215.071371 157.6
[M+CH3COO]- 229.087021 147.6
[M+Na-2H]- 191.047836 141.9
[M]+ 170.07262142 132.1
[M]- 170.07371858 132.1
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