CID 72942200

1069085-53-5

Structural Information

Molecular Formula
C12H9F7N2
SMILES
C1CN(C(=N1)C(C(C(F)(F)F)(F)F)(F)F)C2=CC=CC=C2
InChI
InChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9-20-6-7-21(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
AUVJDWOHCOSIOS-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.0654 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07268 162.6
[M+Na]+ 337.05462 171.5
[M-H]- 313.05812 158.0
[M+NH4]+ 332.09922 175.8
[M+K]+ 353.02856 166.6
[M+H-H2O]+ 297.06266 149.4
[M+HCOO]- 359.06360 171.8
[M+CH3COO]- 373.07925 203.2
[M+Na-2H]- 335.04007 165.7
[M]+ 314.06485 151.6
[M]- 314.06595 151.6
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.