CID 28293847

3-chloro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one

Structural Information

Molecular Formula
C11H11ClO
SMILES
C1CCC(=O)C2=C(C1)C=CC(=C2)Cl
InChI
InChI=1S/C11H11ClO/c12-9-6-5-8-3-1-2-4-11(13)10(8)7-9/h5-7H,1-4H2
InChIKey
MAZWTWNQNWOKGG-UHFFFAOYSA-N
Compound name
3-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 134.8
[M+Na]+ 217.03906 142.8
[M-H]- 193.04256 140.1
[M+NH4]+ 212.08366 155.3
[M+K]+ 233.01300 142.4
[M+H-H2O]+ 177.04710 131.1
[M+HCOO]- 239.04804 151.4
[M+CH3COO]- 253.06369 148.0
[M+Na-2H]- 215.02451 141.2
[M]+ 194.04929 131.8
[M]- 194.05039 131.8
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