CID 611093

2,3,5,6-tetrafluoro-4-nitrophenol

Structural Information

Molecular Formula
C6HF4NO3
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)[N+](=O)[O-]
InChI
InChI=1S/C6HF4NO3/c7-1-3(9)6(12)4(10)2(8)5(1)11(13)14/h12H
InChIKey
KNJXINITCLHHAV-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

210.98926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99654 129.3
[M+Na]+ 233.97848 141.1
[M-H]- 209.98198 128.1
[M+NH4]+ 229.02308 147.5
[M+K]+ 249.95242 134.2
[M+H-H2O]+ 193.98652 125.9
[M+HCOO]- 255.98746 150.5
[M+CH3COO]- 270.00311 179.8
[M+Na-2H]- 231.96393 134.1
[M]+ 210.98871 123.9
[M]- 210.98981 123.9
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