CID 73710

2-fluoro-6-nitrophenol

Structural Information

Molecular Formula
C6H4FNO3
SMILES
C1=CC(=C(C(=C1)F)O)[N+](=O)[O-]
InChI
InChI=1S/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
InChIKey
HIGRXCJEFUYRNW-UHFFFAOYSA-N
Compound name
2-fluoro-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

157.01752 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.024796 123.9
[M+Na]+ 180.006738 132.9
[M-H]- 156.010244 125.9
[M+NH4]+ 175.051343 143.7
[M+K]+ 195.980678 127.2
[M+H-H2O]+ 140.014780 122.8
[M+HCOO]- 202.015721 148.4
[M+CH3COO]- 216.031371 167.7
[M+Na-2H]- 177.992186 132.2
[M]+ 157.01697142 120.9
[M]- 157.01806858 120.9
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

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