CID 15919096

3-amino-2-(trifluoromethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

177.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 130.6
[M+Na]+ 200.02937 140.1
[M-H]- 176.03287 129.3
[M+NH4]+ 195.07397 149.9
[M+K]+ 216.00331 136.9
[M+H-H2O]+ 160.03741 123.3
[M+HCOO]- 222.03835 150.1
[M+CH3COO]- 236.05400 179.1
[M+Na-2H]- 198.01482 136.0
[M]+ 177.03960 124.1
[M]- 177.04070 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