CID 52991962

6-nitro-2-(pentafluoroethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C9H4F5N3O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H4F5N3O2/c10-8(11,9(12,13)14)7-15-5-2-1-4(17(18)19)3-6(5)16-7/h1-3H,(H,15,16)
InChIKey
JEOWEMPCQGMUDQ-UHFFFAOYSA-N
Compound name
6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

281.02237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02965 147.8
[M+Na]+ 304.01159 158.5
[M-H]- 280.01509 143.5
[M+NH4]+ 299.05619 162.7
[M+K]+ 319.98553 149.8
[M+H-H2O]+ 264.01963 142.3
[M+HCOO]- 326.02057 163.1
[M+CH3COO]- 340.03622 188.7
[M+Na-2H]- 301.99704 157.4
[M]+ 281.02182 140.4
[M]- 281.02292 140.4
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