CID 58022127

4-fluoro-5-nitro-2-methoxyphenol

Structural Information

Molecular Formula
C7H6FNO4
SMILES
COC1=C(C=C(C(=C1)F)[N+](=O)[O-])O
InChI
InChI=1S/C7H6FNO4/c1-13-7-2-4(8)5(9(11)12)3-6(7)10/h2-3,10H,1H3
InChIKey
PNYSELJBPNZNPD-UHFFFAOYSA-N
Compound name
4-fluoro-2-methoxy-5-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

187.02809 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03537 131.3
[M+Na]+ 210.01731 140.6
[M-H]- 186.02081 133.4
[M+NH4]+ 205.06191 150.1
[M+K]+ 225.99125 135.2
[M+H-H2O]+ 170.02535 129.9
[M+HCOO]- 232.02629 155.6
[M+CH3COO]- 246.04194 174.0
[M+Na-2H]- 208.00276 138.5
[M]+ 187.02754 130.4
[M]- 187.02864 130.4
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