CID 9816

2-nitro-4-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChIKey
XZEDEVRSUANQEM-UHFFFAOYSA-N
Compound name
2-nitro-4-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

347
Patents

207.01433 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe