CID 118472

33400-49-6

Structural Information

Molecular Formula
C12H11FN4O2
SMILES
C1=CC(=CC=C1CNC2=NC(=C(C=C2)[N+](=O)[O-])N)F
InChI
InChI=1S/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16)
InChIKey
ZVCIIRBNNSUNCH-UHFFFAOYSA-N
Compound name
6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

262.0866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09388 152.8
[M+Na]+ 285.07582 159.7
[M-H]- 261.07932 156.9
[M+NH4]+ 280.12042 166.4
[M+K]+ 301.04976 151.4
[M+H-H2O]+ 245.08386 147.8
[M+HCOO]- 307.08480 177.9
[M+CH3COO]- 321.10045 195.2
[M+Na-2H]- 283.06127 160.5
[M]+ 262.08605 148.2
[M]- 262.08715 148.2
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

No patent data available for this compound.