CID 3070524

Brn 5093853

Structural Information

Molecular Formula
C17H17ClO3
SMILES
CC1=C(C2(CCCCC2)OC1=O)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H17ClO3/c1-11-14(15(19)12-7-3-4-8-13(12)18)17(21-16(11)20)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey
HZRFWONPELLVHC-UHFFFAOYSA-N
Compound name
4-(2-chlorobenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0866 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09388 169.1
[M+Na]+ 327.07582 177.2
[M-H]- 303.07932 178.5
[M+NH4]+ 322.12042 187.6
[M+K]+ 343.04976 173.0
[M+H-H2O]+ 287.08386 163.3
[M+HCOO]- 349.08480 183.4
[M+CH3COO]- 363.10045 200.6
[M+Na-2H]- 325.06127 170.1
[M]+ 304.08605 169.1
[M]- 304.08715 169.1
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.