CID 54759101

2-(3,5-difluorophenyl)aniline

Structural Information

Molecular Formula
C12H9F2N
SMILES
C1=CC=C(C(=C1)C2=CC(=CC(=C2)F)F)N
InChI
InChI=1S/C12H9F2N/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15/h1-7H,15H2
InChIKey
CYILCTRYEHZDGM-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

205.07031 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07759 140.3
[M+Na]+ 228.05953 150.0
[M-H]- 204.06303 144.8
[M+NH4]+ 223.10413 159.2
[M+K]+ 244.03347 145.2
[M+H-H2O]+ 188.06757 131.9
[M+HCOO]- 250.06851 163.7
[M+CH3COO]- 264.08416 189.0
[M+Na-2H]- 226.04498 145.5
[M]+ 205.06976 136.0
[M]- 205.07086 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe