CID 575982

5-(heptadecafluorooctyl)-1h-imidazole

Structural Information

Molecular Formula
C11H3F17N2
SMILES
C1=C(NC=N1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H3F17N2/c12-4(13,3-1-29-2-30-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H,(H,29,30)
InChIKey
ZJGFRIPXEMYHFJ-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

486.00247 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.00975 193.6
[M+Na]+ 508.99169 202.8
[M-H]- 484.99519 177.0
[M+NH4]+ 504.03629 198.6
[M+K]+ 524.96563 197.8
[M+H-H2O]+ 468.99973 176.9
[M+HCOO]- 531.00067 185.0
[M+CH3COO]- 545.01632 231.8
[M+Na-2H]- 506.97714 196.4
[M]+ 486.00192 166.3
[M]- 486.00302 166.3
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

patents stripe