CID 30513

Allylamine, 3,3-bis(m-fluorophenyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H15F2N
SMILES
CNCC=C(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F
InChI
InChI=1S/C16H15F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-8,10-11,19H,9H2,1H3
InChIKey
LIOWNAOLAQKDHP-UHFFFAOYSA-N
Compound name
3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

259.11725 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12453 157.9
[M+Na]+ 282.10647 164.9
[M-H]- 258.10997 161.8
[M+NH4]+ 277.15107 174.3
[M+K]+ 298.08041 159.4
[M+H-H2O]+ 242.11451 148.5
[M+HCOO]- 304.11545 179.7
[M+CH3COO]- 318.13110 199.9
[M+Na-2H]- 280.09192 161.3
[M]+ 259.11670 154.1
[M]- 259.11780 154.1
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