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]+ 298.09865 168.2
[M+Na]+ 320.08059 179.2
[M+NH4]+ 315.12519 176.0
[M+K]+ 336.05453 175.3
[M-H]- 296.08409 167.2
[M+Na-2H]- 318.06604 171.5
[M]+ 297.09082 169.3
[M]- 297.09192 169.3
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.