CID 52991963

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

Structural Information

Molecular Formula
C10H4F7N3O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F7N3O2/c11-8(12,9(13,14)10(15,16)17)7-18-5-2-1-4(20(21)22)3-6(5)19-7/h1-3H,(H,18,19)
InChIKey
IXFBWEUABZKVQQ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-6-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.01917 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02645 157.2
[M+Na]+ 354.00839 167.8
[M-H]- 330.01189 150.7
[M+NH4]+ 349.05299 169.9
[M+K]+ 369.98233 158.7
[M+H-H2O]+ 314.01643 150.4
[M+HCOO]- 376.01737 168.4
[M+CH3COO]- 390.03302 197.9
[M+Na-2H]- 351.99384 166.7
[M]+ 331.01862 147.0
[M]- 331.01972 147.0
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.