CID 93690

6,7-dichloro-5-hydroxy-2-methyl-2-phenylindan-1-one

Structural Information

Molecular Formula
C16H12Cl2O2
SMILES
CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12Cl2O2/c1-16(10-5-3-2-4-6-10)8-9-7-11(19)13(17)14(18)12(9)15(16)20/h2-7,19H,8H2,1H3
InChIKey
FNKRIDAPUUDBPN-UHFFFAOYSA-N
Compound name
6,7-dichloro-5-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

306.02142 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02870 165.6
[M+Na]+ 329.01064 178.4
[M-H]- 305.01414 172.5
[M+NH4]+ 324.05524 186.8
[M+K]+ 344.98458 170.4
[M+H-H2O]+ 289.01868 161.5
[M+HCOO]- 351.01962 178.0
[M+CH3COO]- 365.03527 178.5
[M+Na-2H]- 326.99609 168.0
[M]+ 306.02087 169.6
[M]- 306.02197 169.6
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