CID 75294

4-benzylresorcinol

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1075
Patents

200.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 142.1
[M+Na]+ 223.07294 150.1
[M-H]- 199.07644 146.6
[M+NH4]+ 218.11754 160.0
[M+K]+ 239.04688 145.8
[M+H-H2O]+ 183.08098 135.7
[M+HCOO]- 245.08192 164.3
[M+CH3COO]- 259.09757 180.2
[M+Na-2H]- 221.05839 148.4
[M]+ 200.08317 140.8
[M]- 200.08427 140.8
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