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 157.1
[M+Na]+ 287.08092 166.9
[M-H]- 263.08442 161.9
[M+NH4]+ 282.12552 177.4
[M+K]+ 303.05486 162.4
[M+H-H2O]+ 247.08896 152.0
[M+HCOO]- 309.08990 168.4
[M+CH3COO]- 323.10555 169.3
[M+Na-2H]- 285.06637 163.5
[M]+ 264.09115 158.0
[M]- 264.09225 158.0
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.