CID 4232416

2-(heptafluoropropyl)-3-phenylquinoxaline

Structural Information

Molecular Formula
C17H9F7N2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H9F7N2/c18-15(19,16(20,21)17(22,23)24)14-13(10-6-2-1-3-7-10)25-11-8-4-5-9-12(11)26-14/h1-9H
InChIKey
YSCIJIDFVAKDBE-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenylquinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.0654 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07268 183.5
[M+Na]+ 397.05462 193.8
[M-H]- 373.05812 179.8
[M+NH4]+ 392.09922 193.5
[M+K]+ 413.02856 186.0
[M+H-H2O]+ 357.06266 168.5
[M+HCOO]- 419.06360 191.2
[M+CH3COO]- 433.07925 216.3
[M+Na-2H]- 395.04007 189.3
[M]+ 374.06485 174.2
[M]- 374.06595 174.2
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.