CID 2782755

3',5'-bis(trifluoromethyl)(1,1'-biphenyl)-4-ylamine

Structural Information

Molecular Formula
C14H9F6N
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C14H9F6N/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)8-1-3-12(21)4-2-8/h1-7H,21H2
InChIKey
MGGUROGTKGUOGP-UHFFFAOYSA-N
Compound name
4-[3,5-bis(trifluoromethyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

305.0639 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07118 162.9
[M+Na]+ 328.05312 172.9
[M-H]- 304.05662 162.1
[M+NH4]+ 323.09772 177.5
[M+K]+ 344.02706 166.8
[M+H-H2O]+ 288.06116 151.1
[M+HCOO]- 350.06210 177.8
[M+CH3COO]- 364.07775 206.0
[M+Na-2H]- 326.03857 165.7
[M]+ 305.06335 153.1
[M]- 305.06445 153.1
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