CID 1506977

93500-63-1

Structural Information

Molecular Formula
C16H12FN3O2
SMILES
CC(=O)N1C2=C(C=C(C=C2)F)C3(C1=O)NC4=CC=CC=C4N3
InChI
InChI=1S/C16H12FN3O2/c1-9(21)20-14-7-6-10(17)8-11(14)16(15(20)22)18-12-4-2-3-5-13(12)19-16/h2-8,18-19H,1H3
InChIKey
WWQLNQOOQMBHHQ-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-fluorospiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.09137 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.098646 168.3
[M+Na]+ 320.080588 179.3
[M-H]- 296.084094 169.4
[M+NH4]+ 315.125193 186.4
[M+K]+ 336.054528 172.1
[M+H-H2O]+ 280.088630 160.1
[M+HCOO]- 342.089571 182.0
[M+CH3COO]- 356.105221 178.7
[M+Na-2H]- 318.066036 169.4
[M]+ 297.09082142 164.9
[M]- 297.09191858 164.9
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.