CID 46312100

5-(3-fluorophenyl)pyridine-3,4-diamine dihydrochloride

Structural Information

Molecular Formula
C11H10FN3
SMILES
C1=CC(=CC(=C1)F)C2=CN=CC(=C2N)N
InChI
InChI=1S/C11H10FN3/c12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14/h1-6H,13H2,(H2,14,15)
InChIKey
YVWZHORCIVVFBY-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

203.08588 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.093156 142.3
[M+Na]+ 226.075098 151.6
[M-H]- 202.078604 146.3
[M+NH4]+ 221.119703 159.3
[M+K]+ 242.049038 146.8
[M+H-H2O]+ 186.083140 133.7
[M+HCOO]- 248.084081 166.2
[M+CH3COO]- 262.099731 190.3
[M+Na-2H]- 224.060546 148.0
[M]+ 203.08533142 137.6
[M]- 203.08642858 137.6
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