CID 11447234

1-{2-fluoro-[1,1'-biphenyl]-4-yl}ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H14FN
SMILES
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)N
InChI
InChI=1S/C14H14FN/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-10H,16H2,1H3
InChIKey
RXTZOBNPYLZNKA-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-phenylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.11102 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11830 147.1
[M+Na]+ 238.10024 154.7
[M-H]- 214.10374 152.3
[M+NH4]+ 233.14484 165.3
[M+K]+ 254.07418 150.3
[M+H-H2O]+ 198.10828 139.2
[M+HCOO]- 260.10922 169.9
[M+CH3COO]- 274.12487 192.0
[M+Na-2H]- 236.08569 151.3
[M]+ 215.11047 143.6
[M]- 215.11157 143.6
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