CID 575911

2-(henicosafluorodecyl)-1h-imidazole

Structural Information

Molecular Formula
C13H3F21N2
SMILES
C1=CN=C(N1)C(C(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)(F)F)(F)F
InChI
InChI=1S/C13H3F21N2/c14-4(15,3-35-1-2-36-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H,(H,35,36)
InChIKey
VKBLMPJLEYTODL-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

585.9961 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.00338 217.4
[M+Na]+ 608.98532 179.3
[M-H]- 584.98882 178.7
[M+NH4]+ 604.02992 180.2
[M+K]+ 624.95926 221.3
[M+H-H2O]+ 568.99336 199.5
[M+HCOO]- 630.99430 192.5
[M+CH3COO]- 645.00995 246.8
[M+Na-2H]- 606.97077 219.4
[M]+ 585.99555 169.5
[M]- 585.99665 169.5
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.