CID 256229

2-(heptafluoropropyl)-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C6H5F7N2
SMILES
C1CN=C(N1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F7N2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
InChIKey
DCJMIOHJPJONIJ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.03409 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04137 141.5
[M+Na]+ 261.02331 150.1
[M-H]- 237.02681 132.4
[M+NH4]+ 256.06791 157.0
[M+K]+ 276.99725 146.8
[M+H-H2O]+ 221.03135 130.2
[M+HCOO]- 283.03229 149.8
[M+CH3COO]- 297.04794 186.4
[M+Na-2H]- 259.00876 145.7
[M]+ 238.03354 128.1
[M]- 238.03464 128.1
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.