CID 46314656

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

237.07654 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08382 148.6
[M+Na]+ 260.06576 157.5
[M-H]- 236.06926 151.4
[M+NH4]+ 255.11036 165.9
[M+K]+ 276.03970 152.4
[M+H-H2O]+ 220.07380 139.3
[M+HCOO]- 282.07474 168.9
[M+CH3COO]- 296.09039 193.4
[M+Na-2H]- 258.05121 153.8
[M]+ 237.07599 142.4
[M]- 237.07709 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