CID 74354

1,4-benzenediol, 2-(phenylmethyl)-

Structural Information

Molecular Formula
C13H12O2
SMILES
C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)O
InChI
InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
InChIKey
NEWPHVNFSATQRX-UHFFFAOYSA-N
Compound name
2-benzylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

444
Patents

200.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 143.2
[M+Na]+ 223.07294 158.2
[M+NH4]+ 218.11754 152.3
[M+K]+ 239.04688 150.7
[M-H]- 199.07644 147.5
[M+Na-2H]- 221.05839 152.8
[M]+ 200.08317 146.7
[M]- 200.08427 146.7
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