CID 46735335

365542-77-4

Structural Information

Molecular Formula
C19H16O3
SMILES
C1=CC=C2C=C(C=CC2=C1)CCC3=C(C(=CC=C3)O)C(=O)O
InChI
InChI=1S/C19H16O3/c20-17-7-3-6-15(18(17)19(21)22)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12,20H,9,11H2,(H,21,22)
InChIKey
GGVFBUYNEPBFQT-UHFFFAOYSA-N
Compound name
2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

292.10995 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 167.0
[M+Na]+ 315.09917 174.3
[M-H]- 291.10267 172.1
[M+NH4]+ 310.14377 181.8
[M+K]+ 331.07311 168.8
[M+H-H2O]+ 275.10721 159.3
[M+HCOO]- 337.10815 186.1
[M+CH3COO]- 351.12380 199.6
[M+Na-2H]- 313.08462 171.3
[M]+ 292.10940 166.9
[M]- 292.11050 166.9
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