CID 2782777

3-fluoro-2-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

461
Patents

157.01752 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe