CID 18548624

2-amino-5-fluoro-3-nitrobenzoic acid

Structural Information

Molecular Formula
C7H5FN2O4
SMILES
C1=C(C=C(C(=C1C(=O)O)N)[N+](=O)[O-])F
InChI
InChI=1S/C7H5FN2O4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,9H2,(H,11,12)
InChIKey
PJWWMVQRAZJKGT-UHFFFAOYSA-N
Compound name
2-amino-5-fluoro-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

200.02333 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03061 133.6
[M+Na]+ 223.01255 141.9
[M-H]- 199.01605 135.1
[M+NH4]+ 218.05715 150.9
[M+K]+ 238.98649 135.9
[M+H-H2O]+ 183.02059 131.8
[M+HCOO]- 245.02153 157.4
[M+CH3COO]- 259.03718 177.9
[M+Na-2H]- 220.99800 138.9
[M]+ 200.02278 129.5
[M]- 200.02388 129.5
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