CID 3040092

N-(2-fluoro-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula
C17H12FNO2
SMILES
C1=CC=C2C(=C1)C=CC(=C2NC3=CC=CC=C3C(=O)O)F
InChI
InChI=1S/C17H12FNO2/c18-14-10-9-11-5-1-2-6-12(11)16(14)19-15-8-4-3-7-13(15)17(20)21/h1-10,19H,(H,20,21)
InChIKey
IQIIBXHNTCXDSH-UHFFFAOYSA-N
Compound name
2-[(2-fluoronaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.0852 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09248 161.0
[M+Na]+ 304.07442 169.1
[M-H]- 280.07792 166.3
[M+NH4]+ 299.11902 176.7
[M+K]+ 320.04836 163.6
[M+H-H2O]+ 264.08246 152.3
[M+HCOO]- 326.08340 182.1
[M+CH3COO]- 340.09905 172.5
[M+Na-2H]- 302.05987 166.7
[M]+ 281.08465 159.0
[M]- 281.08575 159.0
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