CID 17843765

3,5-difluoro-4-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
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 125.6
[M+Na]+ 197.99732 135.6
[M-H]- 174.00082 126.5
[M+NH4]+ 193.04192 144.9
[M+K]+ 213.97126 129.4
[M+H-H2O]+ 158.00536 123.7
[M+HCOO]- 220.00630 149.0
[M+CH3COO]- 234.02195 171.6
[M+Na-2H]- 195.98277 132.7
[M]+ 175.00755 121.9
[M]- 175.00865 121.9
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