CID 2774466

3-fluoro-n-phenylaniline

Structural Information

Molecular Formula
C12H10FN
SMILES
C1=CC=C(C=C1)NC2=CC(=CC=C2)F
InChI
InChI=1S/C12H10FN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChIKey
YALRBUHWXPELQP-UHFFFAOYSA-N
Compound name
3-fluoro-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

187.07973 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08701 136.7
[M+Na]+ 210.06895 144.4
[M-H]- 186.07245 142.3
[M+NH4]+ 205.11355 156.0
[M+K]+ 226.04289 140.4
[M+H-H2O]+ 170.07699 128.8
[M+HCOO]- 232.07793 161.8
[M+CH3COO]- 246.09358 184.7
[M+Na-2H]- 208.05440 145.1
[M]+ 187.07918 133.7
[M]- 187.08028 133.7
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