CID 28011

16720-04-0

Structural Information

Molecular Formula
C15H17ClO2
SMILES
CC1(C2=C(CCCC2)C3=CC(=C(C=C3O1)O)Cl)C
InChI
InChI=1S/C15H17ClO2/c1-15(2)11-6-4-3-5-9(11)10-7-12(16)13(17)8-14(10)18-15/h7-8,17H,3-6H2,1-2H3
InChIKey
HVPGANLUVNQMME-UHFFFAOYSA-N
Compound name
2-chloro-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0917 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09898 156.5
[M+Na]+ 287.08092 171.9
[M+NH4]+ 282.12552 168.5
[M+K]+ 303.05486 161.8
[M-H]- 263.08442 161.7
[M+Na-2H]- 285.06637 162.9
[M]+ 264.09115 160.9
[M]- 264.09225 160.9
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.