CID 3020937

3-(3,4-dichlorophenyl)indan-1-ol

Structural Information

Molecular Formula
C15H12Cl2O
SMILES
C1C(C2=CC=CC=C2C1O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12,15,18H,8H2
InChIKey
JAIFCNUSJBEKTO-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

278.02652 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03380 160.8
[M+Na]+ 301.01574 171.9
[M-H]- 277.01924 166.9
[M+NH4]+ 296.06034 180.9
[M+K]+ 316.98968 164.0
[M+H-H2O]+ 261.02378 156.0
[M+HCOO]- 323.02472 173.0
[M+CH3COO]- 337.04037 173.3
[M+Na-2H]- 299.00119 163.0
[M]+ 278.02597 163.0
[M]- 278.02707 163.0
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

patents stripe