CID 1812004

39068-64-9

Structural Information

Molecular Formula
C20H16F4N2
SMILES
CN(C1=CC=CC=C1)C2=C(C(=C(C(=C2F)F)N(C)C3=CC=CC=C3)F)F
InChI
InChI=1S/C20H16F4N2/c1-25(13-9-5-3-6-10-13)19-15(21)17(23)20(18(24)16(19)22)26(2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
SULAOJVMMYGAND-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12497 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13225 183.4
[M+Na]+ 383.11419 192.1
[M-H]- 359.11769 191.0
[M+NH4]+ 378.15879 196.6
[M+K]+ 399.08813 186.9
[M+H-H2O]+ 343.12223 169.7
[M+HCOO]- 405.12317 205.4
[M+CH3COO]- 419.13882 228.8
[M+Na-2H]- 381.09964 183.5
[M]+ 360.12442 180.6
[M]- 360.12552 180.6
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

No patent data available for this compound.