CID 93862

58630-80-1

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC1=C2CCC(=O)C2=C(C=C1)Cl
InChI
InChI=1S/C10H9ClO/c1-6-2-4-8(11)10-7(6)3-5-9(10)12/h2,4H,3,5H2,1H3
InChIKey
HPAYSZZPENPMGA-UHFFFAOYSA-N
Compound name
7-chloro-4-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 135.0
[M+Na]+ 203.023418 146.4
[M-H]- 179.026924 140.2
[M+NH4]+ 198.068023 159.5
[M+K]+ 218.997358 141.7
[M+H-H2O]+ 163.031460 131.2
[M+HCOO]- 225.032401 154.3
[M+CH3COO]- 239.048051 180.5
[M+Na-2H]- 201.008866 139.8
[M]+ 180.03365142 137.2
[M]- 180.03474858 137.2
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

patents stripe