CID 21833

5621-86-3

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3
InChIKey
DQYHYPVCQHTLRO-UHFFFAOYSA-N
Compound name
[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
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

literature stripe

Patent stripe

patents stripe