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]+ 208.021606 132.8
[M+Na]+ 230.003548 142.0
[M-H]- 206.007054 132.2
[M+NH4]+ 225.048153 150.6
[M+K]+ 245.977488 135.6
[M+H-H2O]+ 190.011590 130.2
[M+HCOO]- 252.012531 153.3
[M+CH3COO]- 266.028181 175.9
[M+Na-2H]- 227.988996 140.7
[M]+ 207.01378142 127.2
[M]- 207.01487858 127.2
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