CID 6102691

550997-55-2

Structural Information

Molecular Formula
C17H10FNO2
SMILES
C1=CC(=CC2=C(C=C(C=C21)C3=CC(=C(C=C3)O)F)C#N)O
InChI
InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
InChIKey
NSSOSHDCWCMNDM-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

136
Patents

279.06955 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07683 167.0
[M+Na]+ 302.05877 179.8
[M-H]- 278.06227 170.4
[M+NH4]+ 297.10337 181.4
[M+K]+ 318.03271 171.1
[M+H-H2O]+ 262.06681 153.2
[M+HCOO]- 324.06775 183.0
[M+CH3COO]- 338.08340 177.1
[M+Na-2H]- 300.04422 170.4
[M]+ 279.06900 160.7
[M]- 279.07010 160.7
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