CID 162345065

Ns00133045

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
CNC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO/c1-17-13-8-12(16)11(15)7-10(13)14(18)9-5-3-2-4-6-9/h2-8,17H,1H3
InChIKey
CJCYVEAMPQBSNZ-UHFFFAOYSA-N
Compound name
[4,5-dichloro-2-(methylamino)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.02176 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.029036 158.8
[M+Na]+ 302.010978 168.6
[M-H]- 278.014484 165.2
[M+NH4]+ 297.055583 176.1
[M+K]+ 317.984918 161.9
[M+H-H2O]+ 262.019020 153.2
[M+HCOO]- 324.019961 173.9
[M+CH3COO]- 338.035611 200.5
[M+Na-2H]- 299.996426 162.5
[M]+ 279.02121142 162.1
[M]- 279.02230858 162.1
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.