CID 11694142

2-(aminomethyl)-4-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)CN)O
InChI
InChI=1S/C8H8F3NO2/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-3,13H,4,12H2
InChIKey
NIJPYMIFXMKSQQ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.05072 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05800 138.3
[M+Na]+ 230.03994 147.3
[M-H]- 206.04344 136.9
[M+NH4]+ 225.08454 156.4
[M+K]+ 246.01388 144.5
[M+H-H2O]+ 190.04798 130.5
[M+HCOO]- 252.04892 157.8
[M+CH3COO]- 266.06457 184.2
[M+Na-2H]- 228.02539 143.3
[M]+ 207.05017 133.7
[M]- 207.05127 133.7
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