CID 11572419

3',4'-dichloro-5-fluorobiphenyl-2-amine

Structural Information

Molecular Formula
C12H8Cl2FN
SMILES
C1=CC(=C(C=C1C2=C(C=CC(=C2)F)N)Cl)Cl
InChI
InChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2
InChIKey
QUVGVAKQHNJQNN-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

255.00179 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00907 150.4
[M+Na]+ 277.99101 162.1
[M-H]- 253.99451 155.4
[M+NH4]+ 273.03561 168.9
[M+K]+ 293.96495 154.6
[M+H-H2O]+ 237.99905 144.6
[M+HCOO]- 299.99999 165.1
[M+CH3COO]- 314.01564 163.4
[M+Na-2H]- 275.97646 154.1
[M]+ 255.00124 151.2
[M]- 255.00234 151.2
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