CID 2733745

2,3-difluoro-6-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

282
Patents

175.0081 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe