CID 14581385

6-fluoronaphthalene-1-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

190.04301 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05029 135.0
[M+Na]+ 213.03223 144.5
[M-H]- 189.03573 137.6
[M+NH4]+ 208.07683 155.3
[M+K]+ 229.00617 141.0
[M+H-H2O]+ 173.04027 128.7
[M+HCOO]- 235.04121 156.0
[M+CH3COO]- 249.05686 181.2
[M+Na-2H]- 211.01768 141.9
[M]+ 190.04246 133.9
[M]- 190.04356 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

patents stripe