CID 9860006

Nps-1392

Structural Information

Molecular Formula
C16H17F2N
SMILES
C[C@@H](CN)C(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F
InChI
InChI=1S/C16H17F2N/c1-11(10-19)16(12-4-2-6-14(17)8-12)13-5-3-7-15(18)9-13/h2-9,11,16H,10,19H2,1H3/t11-/m0/s1
InChIKey
WEEQOTXCUZRCLD-NSHDSACASA-N
Compound name
(2R)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

261.1329 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14018 159.9
[M+Na]+ 284.12212 166.2
[M-H]- 260.12562 163.3
[M+NH4]+ 279.16672 175.9
[M+K]+ 300.09606 161.4
[M+H-H2O]+ 244.13016 150.5
[M+HCOO]- 306.13110 179.8
[M+CH3COO]- 320.14675 201.6
[M+Na-2H]- 282.10757 161.0
[M]+ 261.13235 155.2
[M]- 261.13345 155.2
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