CID 22411129

2,3-diamino-5-fluorobenzoic acid

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
C1=C(C=C(C(=C1C(=O)O)N)N)F
InChI
InChI=1S/C7H7FN2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H,11,12)
InChIKey
QOAHUTZAPQUPND-UHFFFAOYSA-N
Compound name
2,3-diamino-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

170.04915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 131.6
[M+Na]+ 193.03837 140.5
[M-H]- 169.04187 132.7
[M+NH4]+ 188.08297 150.7
[M+K]+ 209.01231 138.0
[M+H-H2O]+ 153.04641 125.3
[M+HCOO]- 215.04735 154.6
[M+CH3COO]- 229.06300 181.8
[M+Na-2H]- 191.02382 134.7
[M]+ 170.04860 126.9
[M]- 170.04970 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