CID 261764

1-fluoro-4-nitronaphthalene

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC=C2C(=C1)C(=CC=C2F)[N+](=O)[O-]
InChI
InChI=1S/C10H6FNO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H
InChIKey
XVDSBUCGMJBTNO-UHFFFAOYSA-N
Compound name
1-fluoro-4-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
Patents

191.03825 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.045526 133.7
[M+Na]+ 214.027468 142.6
[M-H]- 190.030974 137.6
[M+NH4]+ 209.072073 153.7
[M+K]+ 230.001408 135.7
[M+H-H2O]+ 174.035510 131.6
[M+HCOO]- 236.036451 158.0
[M+CH3COO]- 250.052101 178.2
[M+Na-2H]- 212.012916 143.5
[M]+ 191.03770142 131.5
[M]- 191.03879858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe