CID 20523639

13099-73-5

Structural Information

Molecular Formula
C11H11ClO
SMILES
CC1(CC2=C(C1=O)C=C(C=C2)Cl)C
InChI
InChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3
InChIKey
XFZYJZIKQGZVES-UHFFFAOYSA-N
Compound name
6-chloro-2,2-dimethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

194.04984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05712 138.3
[M+Na]+ 217.03906 150.2
[M-H]- 193.04256 143.7
[M+NH4]+ 212.08366 164.3
[M+K]+ 233.01300 145.2
[M+H-H2O]+ 177.04710 134.9
[M+HCOO]- 239.04804 157.3
[M+CH3COO]- 253.06369 183.0
[M+Na-2H]- 215.02451 143.8
[M]+ 194.04929 141.1
[M]- 194.05039 141.1
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

patents stripe