CID 71758651

1443980-61-7

Structural Information

Molecular Formula
C16H16F3NO
SMILES
C1=CC=C(C=C1)CNCC(C2=CC=CC=C2C(F)(F)F)O
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)15(21)11-20-10-12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2
InChIKey
AEWYIHDASOFNPG-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.1184 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12568 165.4
[M+Na]+ 318.10762 171.1
[M-H]- 294.11112 166.4
[M+NH4]+ 313.15222 179.3
[M+K]+ 334.08156 165.9
[M+H-H2O]+ 278.11566 155.3
[M+HCOO]- 340.11660 183.0
[M+CH3COO]- 354.13225 202.2
[M+Na-2H]- 316.09307 169.2
[M]+ 295.11785 159.8
[M]- 295.11895 159.8
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