CID 18069

2-amino-2',5-dichlorobenzophenone

Structural Information

Molecular Formula
C13H9Cl2NO
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)Cl
InChI
InChI=1S/C13H9Cl2NO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChIKey
KWZYIAJRFJVQDO-UHFFFAOYSA-N
Compound name
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

478
Patents

265.00613 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01341 154.8
[M+Na]+ 287.99535 165.0
[M-H]- 263.99885 160.9
[M+NH4]+ 283.03995 172.4
[M+K]+ 303.96929 158.2
[M+H-H2O]+ 248.00339 149.5
[M+HCOO]- 310.00433 169.7
[M+CH3COO]- 324.01998 197.0
[M+Na-2H]- 285.98080 158.0
[M]+ 265.00558 156.7
[M]- 265.00668 156.7
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

patents stripe