CID 13467652

93500-65-3

Structural Information

Molecular Formula
C17H11F4N3O2
SMILES
CC(=O)N1C2=C(C=C(C=C2)F)C3(C1=O)NC4=C(N3)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C17H11F4N3O2/c1-8(25)24-14-5-3-10(18)7-11(14)16(15(24)26)22-12-4-2-9(17(19,20)21)6-13(12)23-16/h2-7,22-23H,1H3
InChIKey
JMCYQTXHPPSKSN-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-fluoro-5-(trifluoromethyl)spiro[1,3-dihydrobenzimidazole-2,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.07874 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08602 182.5
[M+Na]+ 388.06796 194.5
[M-H]- 364.07146 180.2
[M+NH4]+ 383.11256 198.1
[M+K]+ 404.04190 186.4
[M+H-H2O]+ 348.07600 172.8
[M+HCOO]- 410.07694 191.1
[M+CH3COO]- 424.09259 191.2
[M+Na-2H]- 386.05341 182.0
[M]+ 365.07819 176.3
[M]- 365.07929 176.3
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.