CID 22272746

2-amino-6-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CC(=C(C(=C1)N)O)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)4-2-1-3-5(11)6(4)12/h1-3,12H,11H2
InChIKey
XOXAZFFGKMIJKE-UHFFFAOYSA-N
Compound name
2-amino-6-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

177.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.047426 130.6
[M+Na]+ 200.029368 140.1
[M-H]- 176.032874 129.3
[M+NH4]+ 195.073973 149.9
[M+K]+ 216.003308 136.9
[M+H-H2O]+ 160.037410 123.3
[M+HCOO]- 222.038351 150.1
[M+CH3COO]- 236.054001 179.1
[M+Na-2H]- 198.014816 136.0
[M]+ 177.03960142 124.1
[M]- 177.04069858 124.1
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