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
3
Annotation Hits

2
References

795
Patents

187.07973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.087006 137.4
[M+Na]+ 210.068948 146.1
[M-H]- 186.072454 142.9
[M+NH4]+ 205.113553 156.7
[M+K]+ 226.042888 141.7
[M+H-H2O]+ 170.076990 129.8
[M+HCOO]- 232.077931 161.8
[M+CH3COO]- 246.093581 185.1
[M+Na-2H]- 208.054396 143.9
[M]+ 187.07918142 133.8
[M]- 187.08027858 133.8
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