CID 350591

559-37-5

Structural Information

Molecular Formula
C10H5F7N2
SMILES
C1=CC=C2C(=C1)NC(=N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F7N2/c11-8(12,9(13,14)10(15,16)17)7-18-5-3-1-2-4-6(5)19-7/h1-4H,(H,18,19)
InChIKey
VZEYKZFVOPCTLV-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

286.0341 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04138 154.1
[M+Na]+ 309.02332 165.6
[M-H]- 285.02682 146.9
[M+NH4]+ 304.06792 169.3
[M+K]+ 324.99726 159.8
[M+H-H2O]+ 269.03136 142.5
[M+HCOO]- 331.03230 163.8
[M+CH3COO]- 345.04795 196.0
[M+Na-2H]- 307.00877 160.4
[M]+ 286.03355 144.8
[M]- 286.03465 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe