CID 252734

7-fluoronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C11H7FO2
SMILES
C1=CC2=C(C=C(C=C2)F)C(=C1)C(=O)O
InChI
InChI=1S/C11H7FO2/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8/h1-6H,(H,13,14)
InChIKey
JKYJTIVXICHCJE-UHFFFAOYSA-N
Compound name
7-fluoronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04301 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.050286 135.0
[M+Na]+ 213.032228 144.5
[M-H]- 189.035734 137.6
[M+NH4]+ 208.076833 155.3
[M+K]+ 229.006168 141.0
[M+H-H2O]+ 173.040270 128.7
[M+HCOO]- 235.041211 156.0
[M+CH3COO]- 249.056861 181.2
[M+Na-2H]- 211.017676 141.9
[M]+ 190.04246142 133.9
[M]- 190.04355858 133.9
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.