CID 2782490

2,5-difluoro-4-nitrophenol

Structural Information

Molecular Formula
C6H3F2NO3
SMILES
C1=C(C(=CC(=C1F)O)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3F2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H
InChIKey
WOQWWNJQZLYLMC-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

175.0081 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.01538 126.6
[M+Na]+ 197.99732 138.5
[M+NH4]+ 193.04192 133.3
[M+K]+ 213.97126 136.4
[M-H]- 174.00082 126.4
[M+Na-2H]- 195.98277 131.7
[M]+ 175.00755 127.9
[M]- 175.00865 127.9
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