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]+ 195.020736 136.6
[M+Na]+ 217.002678 150.0
[M-H]- 193.006184 145.3
[M+NH4]+ 212.047283 156.2
[M+K]+ 232.976618 146.6
[M+H-H2O]+ 177.010720 132.7
[M+HCOO]- 239.011661 154.6
[M+CH3COO]- 253.027311 151.6
[M+Na-2H]- 214.988126 144.7
[M]+ 194.01291142 142.5
[M]- 194.01400858 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.