CID 94951

2,6-dinitro-4-fluorophenol

Structural Information

Molecular Formula
C6H3FN2O5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])F
InChI
InChI=1S/C6H3FN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H
InChIKey
MDOWEUXXLVBZIU-UHFFFAOYSA-N
Compound name
4-fluoro-2,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

202.0026 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00988 134.3
[M+Na]+ 224.99182 142.4
[M-H]- 200.99532 136.3
[M+NH4]+ 220.03642 150.8
[M+K]+ 240.96576 132.7
[M+H-H2O]+ 184.99986 137.1
[M+HCOO]- 247.00080 158.9
[M+CH3COO]- 261.01645 171.6
[M+Na-2H]- 222.97727 142.9
[M]+ 202.00205 130.2
[M]- 202.00315 130.2
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