CID 22482376

1-[2-(2,4-difluorophenyl)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C14H13F2N
SMILES
CC(C1=CC=CC=C1C2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C14H13F2N/c1-9(17)11-4-2-3-5-12(11)13-7-6-10(15)8-14(13)16/h2-9H,17H2,1H3
InChIKey
AEBRNFBTJDRRBX-UHFFFAOYSA-N
Compound name
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

233.10161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10889 150.1
[M+Na]+ 256.09083 158.6
[M-H]- 232.09433 154.2
[M+NH4]+ 251.13543 167.7
[M+K]+ 272.06477 153.8
[M+H-H2O]+ 216.09887 141.3
[M+HCOO]- 278.09981 171.7
[M+CH3COO]- 292.11546 195.9
[M+Na-2H]- 254.07628 152.8
[M]+ 233.10106 145.8
[M]- 233.10216 145.8
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