CID 7018190

205873-26-3

Structural Information

Molecular Formula
C18H18F6N2
SMILES
CN[C@@H](C1=CC(=CC=C1)C(F)(F)F)[C@H](C2=CC(=CC=C2)C(F)(F)F)NC
InChI
InChI=1S/C18H18F6N2/c1-25-15(11-5-3-7-13(9-11)17(19,20)21)16(26-2)12-6-4-8-14(10-12)18(22,23)24/h3-10,15-16,25-26H,1-2H3/t15-,16-/m0/s1
InChIKey
SBGOGHODWUZHIY-HOTGVXAUSA-N
Compound name
(1S,2S)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.13742 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14470 185.2
[M+Na]+ 399.12664 189.5
[M+NH4]+ 394.17124 187.1
[M+K]+ 415.10058 185.2
[M-H]- 375.13014 180.9
[M+Na-2H]- 397.11209 187.1
[M]+ 376.13687 184.2
[M]- 376.13797 184.2
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