CID 4383946

882748-34-7

Structural Information

Molecular Formula
C19H16ClNO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO/c20-17-7-9-18(10-8-17)21-12-11-19(22)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13,21H,11-12H2
InChIKey
WKMFJYNGTNSVRE-UHFFFAOYSA-N
Compound name
3-(4-chloroanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.09204 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09932 170.9
[M+Na]+ 332.08126 178.5
[M-H]- 308.08476 177.9
[M+NH4]+ 327.12586 186.9
[M+K]+ 348.05520 171.4
[M+H-H2O]+ 292.08930 163.1
[M+HCOO]- 354.09024 189.1
[M+CH3COO]- 368.10589 182.1
[M+Na-2H]- 330.06671 176.6
[M]+ 309.09149 172.9
[M]- 309.09259 172.9
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.