CID 68991950

5'-bromospiro[cyclopropane-1,3'-indolin]-2'-one

Structural Information

Molecular Formula
C10H8BrNO
SMILES
C1CC12C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C10H8BrNO/c11-6-1-2-8-7(5-6)10(3-4-10)9(13)12-8/h1-2,5H,3-4H2,(H,12,13)
InChIKey
MLDCRGSPMVDRHI-UHFFFAOYSA-N
Compound name
5-bromospiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

236.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 148.1
[M+Na]+ 259.96815 163.5
[M-H]- 235.97165 156.1
[M+NH4]+ 255.01275 168.1
[M+K]+ 275.94209 151.0
[M+H-H2O]+ 219.97619 149.1
[M+HCOO]- 281.97713 166.7
[M+CH3COO]- 295.99278 163.0
[M+Na-2H]- 257.95360 155.7
[M]+ 236.97838 166.8
[M]- 236.97948 166.8
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

patents stripe