CID 13467651

1,3-dihydro-1'-acetyl-5,5'-difluorospiro(2h-benzimidazole-2,3'-(3h)indol)-2'(1'h)-one

Structural Information

Molecular Formula
C16H11F2N3O2
SMILES
CC(=O)N1C2=C(C=C(C=C2)F)C3(C1=O)NC4=C(N3)C=C(C=C4)F
InChI
InChI=1S/C16H11F2N3O2/c1-8(22)21-14-5-3-9(17)6-11(14)16(15(21)23)19-12-4-2-10(18)7-13(12)20-16/h2-7,19-20H,1H3
InChIKey
DNBQRIZOMRORMT-UHFFFAOYSA-N
Compound name
1'-acetyl-5,5'-difluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08194 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08922 171.0
[M+Na]+ 338.07116 183.0
[M-H]- 314.07466 171.1
[M+NH4]+ 333.11576 188.7
[M+K]+ 354.04510 175.3
[M+H-H2O]+ 298.07920 162.3
[M+HCOO]- 360.08014 183.7
[M+CH3COO]- 374.09579 181.2
[M+Na-2H]- 336.05661 170.9
[M]+ 315.08139 167.1
[M]- 315.08249 167.1
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.