CID 89895800

4,5-diamino-2-fluorobenzoic acid

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
C1=C(C(=CC(=C1N)N)F)C(=O)O
InChI
InChI=1S/C7H7FN2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,9-10H2,(H,11,12)
InChIKey
VMZYHYPZUMUAPN-UHFFFAOYSA-N
Compound name
4,5-diamino-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.04915 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.056426 131.6
[M+Na]+ 193.038368 140.5
[M-H]- 169.041874 132.7
[M+NH4]+ 188.082973 150.7
[M+K]+ 209.012308 138.0
[M+H-H2O]+ 153.046410 125.3
[M+HCOO]- 215.047351 154.6
[M+CH3COO]- 229.063001 181.8
[M+Na-2H]- 191.023816 134.7
[M]+ 170.04860142 126.9
[M]- 170.04969858 126.9
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