CID 3055473

Spiro(benzofuran-2(3h),1'-cyclopropan)-3-one, 5-chloro-

Structural Information

Molecular Formula
C10H7ClO2
SMILES
C1CC12C(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C10H7ClO2/c11-6-1-2-8-7(5-6)9(12)10(13-8)3-4-10/h1-2,5H,3-4H2
InChIKey
VWQDVLIXBUWMIV-UHFFFAOYSA-N
Compound name
5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02074 136.6
[M+Na]+ 217.00268 150.0
[M-H]- 193.00618 145.3
[M+NH4]+ 212.04728 156.2
[M+K]+ 232.97662 146.6
[M+H-H2O]+ 177.01072 132.7
[M+HCOO]- 239.01166 154.6
[M+CH3COO]- 253.02731 151.6
[M+Na-2H]- 214.98813 144.7
[M]+ 194.01291 142.5
[M]- 194.01401 142.5
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.