CID 14853252

942996-03-4

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
C1=CC(=CC=C1C(CO)N)OC(F)(F)F
InChI
InChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-6(2-4-7)8(13)5-14/h1-4,8,14H,5,13H2
InChIKey
ZWWLHDJVEDSDGM-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

221.06636 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.073636 143.3
[M+Na]+ 244.055578 150.6
[M-H]- 220.059084 141.3
[M+NH4]+ 239.100183 160.4
[M+K]+ 260.029518 148.0
[M+H-H2O]+ 204.063620 135.1
[M+HCOO]- 266.064561 161.4
[M+CH3COO]- 280.080211 186.9
[M+Na-2H]- 242.041026 147.2
[M]+ 221.06581142 138.0
[M]- 221.06690858 138.0
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