CID 2782708

4'-(trifluoromethyl)-[1,1'-biphenyl]-3-amine

Structural Information

Molecular Formula
C13H10F3N
SMILES
C1=CC(=CC(=C1)N)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3N/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(17)8-10/h1-8H,17H2
InChIKey
RTSCKIULIJLTHO-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

237.07654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.083816 148.6
[M+Na]+ 260.065758 157.5
[M-H]- 236.069264 151.4
[M+NH4]+ 255.110363 165.9
[M+K]+ 276.039698 152.4
[M+H-H2O]+ 220.073800 139.3
[M+HCOO]- 282.074741 168.9
[M+CH3COO]- 296.090391 193.4
[M+Na-2H]- 258.051206 153.8
[M]+ 237.07599142 142.4
[M]- 237.07708858 142.4
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