CID 901834

2-nitro-6-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)4-2-1-3-5(6(4)12)11(13)14/h1-3,12H
InChIKey
FMPKXGYPBUWNNG-UHFFFAOYSA-N
Compound name
2-nitro-6-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

207.01433 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 134.3
[M+Na]+ 230.00355 144.1
[M+NH4]+ 225.04815 139.6
[M+K]+ 245.97749 142.7
[M-H]- 206.00705 131.9
[M+Na-2H]- 227.98900 138.4
[M]+ 207.01378 134.6
[M]- 207.01488 134.6
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