CID 53425067

3-(2-hydroxynaphthalen-1-yl)benzoic acid

Structural Information

Molecular Formula
C17H12O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=CC(=CC=C3)C(=O)O)O
InChI
InChI=1S/C17H12O3/c18-15-9-8-11-4-1-2-7-14(11)16(15)12-5-3-6-13(10-12)17(19)20/h1-10,18H,(H,19,20)
InChIKey
YYMXOYUYJJEIAV-UHFFFAOYSA-N
Compound name
3-(2-hydroxynaphthalen-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07864 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.085916 157.6
[M+Na]+ 287.067858 166.0
[M-H]- 263.071364 163.2
[M+NH4]+ 282.112463 173.7
[M+K]+ 303.041798 160.8
[M+H-H2O]+ 247.075900 150.4
[M+HCOO]- 309.076841 177.5
[M+CH3COO]- 323.092491 169.5
[M+Na-2H]- 285.053306 163.1
[M]+ 264.07809142 156.9
[M]- 264.07918858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.