CID 79251

5333-90-4

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC1=C2C(=C(C=C1)Cl)CCC2=O
InChI
InChI=1S/C10H9ClO/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4H,3,5H2,1H3
InChIKey
GGWVYVCKNJCQOC-UHFFFAOYSA-N
Compound name
4-chloro-7-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.0342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 133.2
[M+Na]+ 203.02342 147.6
[M+NH4]+ 198.06802 143.7
[M+K]+ 218.99736 141.4
[M-H]- 179.02692 136.1
[M+Na-2H]- 201.00887 139.4
[M]+ 180.03365 136.4
[M]- 180.03475 136.4
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

patents stripe