CID 9462

324-93-6

Structural Information

Molecular Formula
C12H10FN
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)F)N
InChI
InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
InChIKey
HTRVALPKPVGOSZ-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

784
Patents

187.07973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08701 139.3
[M+Na]+ 210.06895 153.9
[M+NH4]+ 205.11355 148.8
[M+K]+ 226.04289 145.6
[M-H]- 186.07245 144.1
[M+Na-2H]- 208.05440 149.6
[M]+ 187.07918 142.8
[M]- 187.08028 142.8
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