CID 72942199

1069085-51-3

Structural Information

Molecular Formula
C13H11F7N2
SMILES
C1CN(C(=N1)C(C(C(F)(F)F)(F)F)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C13H11F7N2/c14-11(15,12(16,17)13(18,19)20)10-21-6-7-22(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
QTZAKXBSUHSCJY-UHFFFAOYSA-N
Compound name
1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

328.08105 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08833 167.3
[M+Na]+ 351.07027 175.7
[M-H]- 327.07377 162.5
[M+NH4]+ 346.11487 179.9
[M+K]+ 367.04421 170.6
[M+H-H2O]+ 311.07831 153.9
[M+HCOO]- 373.07925 176.2
[M+CH3COO]- 387.09490 206.1
[M+Na-2H]- 349.05572 169.8
[M]+ 328.08050 156.6
[M]- 328.08160 156.6
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.