CID 3061594

Brn 5539682

Structural Information

Molecular Formula
C12H10BrNO2
SMILES
CC(=O)N1C2=C(C=C(C=C2)Br)C(=O)C13CC3
InChI
InChI=1S/C12H10BrNO2/c1-7(15)14-10-3-2-8(13)6-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKey
LJJBHUOXXMLWRZ-UHFFFAOYSA-N
Compound name
1'-acetyl-5'-bromospiro[cyclopropane-1,2'-indole]-3'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9895 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99678 158.8
[M+Na]+ 301.97872 174.4
[M-H]- 277.98222 168.0
[M+NH4]+ 297.02332 178.0
[M+K]+ 317.95266 162.4
[M+H-H2O]+ 261.98676 159.6
[M+HCOO]- 323.98770 177.4
[M+CH3COO]- 338.00335 197.5
[M+Na-2H]- 299.96417 164.1
[M]+ 278.98895 180.1
[M]- 278.99005 180.1
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.