CID 22060572

4-amino-2-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3,12H,11H2
InChIKey
OHNDAXCVWUKVHF-UHFFFAOYSA-N
Compound name
4-amino-2-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

388
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

literature stripe

Patent stripe

patents stripe