CID 3060404

1,1-(3,3'-difluorodiphenyl)-2-methyl-3-aminopropanol maleate

Structural Information

Molecular Formula
C16H17F2NO
SMILES
C1=CC(=CC(=C1)F)CC(C2=CC(=CC=C2)F)C(CN)O
InChI
InChI=1S/C16H17F2NO/c17-13-5-1-3-11(7-13)8-15(16(20)10-19)12-4-2-6-14(18)9-12/h1-7,9,15-16,20H,8,10,19H2
InChIKey
YFVXDFIIVMHJSS-UHFFFAOYSA-N
Compound name
1-amino-3,4-bis(3-fluorophenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1278 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13508 163.4
[M+Na]+ 300.11702 169.2
[M-H]- 276.12052 165.3
[M+NH4]+ 295.16162 177.9
[M+K]+ 316.09096 164.1
[M+H-H2O]+ 260.12506 154.1
[M+HCOO]- 322.12600 182.0
[M+CH3COO]- 336.14165 201.2
[M+Na-2H]- 298.10247 164.0
[M]+ 277.12725 158.3
[M]- 277.12835 158.3
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

No patent data available for this compound.