CID 15345616

2-(4-chlorophenyl)-4-fluoroaniline

Structural Information

Molecular Formula
C12H9ClFN
SMILES
C1=CC(=CC=C1C2=C(C=CC(=C2)F)N)Cl
InChI
InChI=1S/C12H9ClFN/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,15H2
InChIKey
IIOKEAUIKKVDHM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

221.04076 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04804 144.2
[M+Na]+ 244.02998 154.6
[M-H]- 220.03348 149.7
[M+NH4]+ 239.07458 163.3
[M+K]+ 260.00392 148.4
[M+H-H2O]+ 204.03802 137.4
[M+HCOO]- 266.03896 164.0
[M+CH3COO]- 280.05461 157.7
[M+Na-2H]- 242.01543 149.4
[M]+ 221.04021 143.2
[M]- 221.04131 143.2
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