CID 576228

5-(pentadecafluoroheptyl)-1h-imidazole

Structural Information

Molecular Formula
C10H3F15N2
SMILES
C1=C(NC=N1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F15N2/c11-4(12,3-1-26-2-27-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H,(H,26,27)
InChIKey
NYLVUEIJJQQDBW-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

436.00568 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.01296 182.1
[M+Na]+ 458.99490 191.4
[M-H]- 434.99840 166.5
[M+NH4]+ 454.03950 189.1
[M+K]+ 474.96884 186.5
[M+H-H2O]+ 419.00294 166.2
[M+HCOO]- 481.00388 176.7
[M+CH3COO]- 495.01953 223.4
[M+Na-2H]- 456.98035 185.3
[M]+ 436.00513 157.8
[M]- 436.00623 157.8
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.