CID 44605718

Refchem:911890

Structural Information

Molecular Formula
C13H12O3
SMILES
COC1=CC(=CC(=C1O)O)C2=CC=CC=C2
InChI
InChI=1S/C13H12O3/c1-16-12-8-10(7-11(14)13(12)15)9-5-3-2-4-6-9/h2-8,14-15H,1H3
InChIKey
CDSGSEYGSWGVOJ-UHFFFAOYSA-N
Compound name
3-methoxy-5-phenylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7
Patents

216.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 145.0
[M+Na]+ 239.067858 153.9
[M-H]- 215.071364 150.0
[M+NH4]+ 234.112463 162.6
[M+K]+ 255.041798 150.3
[M+H-H2O]+ 199.075900 138.6
[M+HCOO]- 261.076841 167.4
[M+CH3COO]- 275.092491 183.6
[M+Na-2H]- 237.053306 150.7
[M]+ 216.07809142 145.6
[M]- 216.07918858 145.6
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