CID 5378365

3-(2,4-dichlorophenyl)-2'-acrylonaphthone

Structural Information

Molecular Formula
C19H12Cl2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H12Cl2O/c20-17-9-7-14(18(21)12-17)8-10-19(22)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H/b10-8+
InChIKey
LKRCMMSGFQSAPC-CSKARUKUSA-N
Compound name
(E)-3-(2,4-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.02652 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03380 172.0
[M+Na]+ 349.01574 182.2
[M-H]- 325.01924 178.7
[M+NH4]+ 344.06034 188.4
[M+K]+ 364.98968 173.5
[M+H-H2O]+ 309.02378 165.4
[M+HCOO]- 371.02472 184.3
[M+CH3COO]- 385.04037 183.4
[M+Na-2H]- 347.00119 175.7
[M]+ 326.02597 175.7
[M]- 326.02707 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.