CID 59008519

Schembl12201111

Structural Information

Molecular Formula
C10H11F9N2
SMILES
CN1CN(C=C1)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H11F9N2/c1-20-4-5-21(6-20)3-2-7(11,12)8(13,14)9(15,16)10(17,18)19/h4-5H,2-3,6H2,1H3
InChIKey
VNPQJEAXWTWTBP-UHFFFAOYSA-N
Compound name
1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.07785 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08513 165.4
[M+Na]+ 353.06707 174.1
[M-H]- 329.07057 155.5
[M+NH4]+ 348.11167 178.1
[M+K]+ 369.04101 170.5
[M+H-H2O]+ 313.07511 152.4
[M+HCOO]- 375.07605 170.2
[M+CH3COO]- 389.09170 208.3
[M+Na-2H]- 351.05252 167.3
[M]+ 330.07730 152.3
[M]- 330.07840 152.3
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