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

152
Patents

203.08588 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09316 142.3
[M+Na]+ 226.07510 151.6
[M-H]- 202.07860 146.3
[M+NH4]+ 221.11970 159.3
[M+K]+ 242.04904 146.8
[M+H-H2O]+ 186.08314 133.7
[M+HCOO]- 248.08408 166.2
[M+CH3COO]- 262.09973 190.3
[M+Na-2H]- 224.06055 148.0
[M]+ 203.08533 137.6
[M]- 203.08643 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