CID 138396387

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C6H3F7N2
SMILES
C1=CN=C(N1)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-14-1-2-15-3/h1-2H,(H,14,15)
InChIKey
JEEJFXFTYPLCSR-UHFFFAOYSA-N
Compound name
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.01845 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02573 139.7
[M+Na]+ 259.00767 149.4
[M-H]- 235.01117 131.1
[M+NH4]+ 254.05227 155.5
[M+K]+ 274.98161 145.9
[M+H-H2O]+ 219.01571 128.5
[M+HCOO]- 281.01665 149.5
[M+CH3COO]- 295.03230 185.3
[M+Na-2H]- 256.99312 144.9
[M]+ 236.01790 127.8
[M]- 236.01900 127.8
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

patents stripe