CID 22728898

712-70-9

Structural Information

Molecular Formula
C11H7FO2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)F
InChI
InChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChIKey
VDXLBIXGGFGMRQ-UHFFFAOYSA-N
Compound name
3-fluoronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

190.04301 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe