CID 1474501

124379-29-9

Structural Information

Molecular Formula
C16H12Cl2O
SMILES
C1CC(=O)C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1
InChIKey
JGMBHJNMQVKDMW-NSHDSACASA-N
Compound name
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

587
Patents

290.02652 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03380 161.8
[M+Na]+ 313.01574 172.1
[M-H]- 289.01924 168.6
[M+NH4]+ 308.06034 180.0
[M+K]+ 328.98968 164.6
[M+H-H2O]+ 273.02378 155.8
[M+HCOO]- 335.02472 173.1
[M+CH3COO]- 349.04037 173.9
[M+Na-2H]- 311.00119 165.6
[M]+ 290.02597 163.3
[M]- 290.02707 163.3
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.