CID 155943776

1-[1-(1,3-dioxaindan-5-yl)cyclopropyl]-2-bromoethan-1-one

Structural Information

Molecular Formula
C12H11BrO3
SMILES
C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)CBr
InChI
InChI=1S/C12H11BrO3/c13-6-11(14)12(3-4-12)8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3-4,6-7H2
InChIKey
HAISDXFSEWQHND-UHFFFAOYSA-N
Compound name
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-bromoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.98917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99645 156.6
[M+Na]+ 304.97839 169.7
[M-H]- 280.98189 168.5
[M+NH4]+ 300.02299 173.5
[M+K]+ 320.95233 162.0
[M+H-H2O]+ 264.98643 157.5
[M+HCOO]- 326.98737 174.6
[M+CH3COO]- 341.00302 171.5
[M+Na-2H]- 302.96384 164.5
[M]+ 281.98862 179.4
[M]- 281.98972 179.4
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.