CID 220953

(e)-bis[3-(trifluoromethyl)phenyl]diazene

Structural Information

Molecular Formula
C14H8F6N2
SMILES
C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H8F6N2/c15-13(16,17)9-3-1-5-11(7-9)21-22-12-6-2-4-10(8-12)14(18,19)20/h1-8H
InChIKey
ODNNWXKHVFFHEI-UHFFFAOYSA-N
Compound name
bis[3-(trifluoromethyl)phenyl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

318.05917 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06645 165.3
[M+Na]+ 341.04839 174.8
[M-H]- 317.05189 167.3
[M+NH4]+ 336.09299 180.4
[M+K]+ 357.02233 170.0
[M+H-H2O]+ 301.05643 152.3
[M+HCOO]- 363.05737 185.1
[M+CH3COO]- 377.07302 213.8
[M+Na-2H]- 339.03384 171.1
[M]+ 318.05862 158.4
[M]- 318.05972 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