CID 196976

448-97-5

Structural Information

Molecular Formula
C12H10F2N2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)F)F)N
InChI
InChI=1S/C12H10F2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKey
LVNPGQZSPDFZNC-UHFFFAOYSA-N
Compound name
4-(4-amino-3-fluorophenyl)-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

826
Patents

220.0812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08848 145.2
[M+Na]+ 243.07042 155.1
[M-H]- 219.07392 149.5
[M+NH4]+ 238.11502 163.2
[M+K]+ 259.04436 149.9
[M+H-H2O]+ 203.07846 136.6
[M+HCOO]- 265.07940 169.0
[M+CH3COO]- 279.09505 194.6
[M+Na-2H]- 241.05587 148.9
[M]+ 220.08065 139.7
[M]- 220.08175 139.7
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