CID 9578606

Brn 0419656

Structural Information

Molecular Formula
C12H9FN4O2
SMILES
C1=CC(=CC=C1/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C12H9FN4O2/c13-10-3-1-9(2-4-10)7-15-16-12-6-5-11(8-14-12)17(18)19/h1-8H,(H,14,16)/b15-7+
InChIKey
YQGDAOADACQELM-VIZOYTHASA-N
Compound name
N-[(E)-(4-fluorophenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07823 151.9
[M+Na]+ 283.06017 158.6
[M-H]- 259.06367 157.6
[M+NH4]+ 278.10477 166.2
[M+K]+ 299.03411 151.0
[M+H-H2O]+ 243.06821 146.4
[M+HCOO]- 305.06915 179.3
[M+CH3COO]- 319.08480 195.7
[M+Na-2H]- 281.04562 161.7
[M]+ 260.07040 148.9
[M]- 260.07150 148.9
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

No patent data available for this compound.