CID 82722

2-(4-methylphenyl)benzene-1,4-diol

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=CC=C(C=C1)C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C13H12O2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8,14-15H,1H3
InChIKey
BRDIEXWCAJNNQS-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

432
Patents

200.08372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.7
[M+Na]+ 223.07294 150.7
[M-H]- 199.07644 146.7
[M+NH4]+ 218.11754 160.0
[M+K]+ 239.04688 146.5
[M+H-H2O]+ 183.08098 135.7
[M+HCOO]- 245.08192 164.0
[M+CH3COO]- 259.09757 181.4
[M+Na-2H]- 221.05839 147.4
[M]+ 200.08317 140.9
[M]- 200.08427 140.9
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