CID 630566

2,2-bis(3-aminophenyl)hexafluoropropane

Structural Information

Molecular Formula
C15H12F6N2
SMILES
C1=CC(=CC(=C1)N)C(C2=CC(=CC=C2)N)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10/h1-8H,22-23H2
InChIKey
UVUCUHVQYAPMEU-UHFFFAOYSA-N
Compound name
3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4457
Patents

334.09045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09773 170.5
[M+Na]+ 357.07967 178.7
[M-H]- 333.08317 168.9
[M+NH4]+ 352.12427 183.1
[M+K]+ 373.05361 172.6
[M+H-H2O]+ 317.08771 158.7
[M+HCOO]- 379.08865 183.9
[M+CH3COO]- 393.10430 212.7
[M+Na-2H]- 355.06512 174.0
[M]+ 334.08990 158.4
[M]- 334.09100 158.4
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