CID 3440374

2-hydroxy-n-(2,4,5-trichlorophenyl)benzamide

Structural Information

Molecular Formula
C13H8Cl3NO2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)O
InChI
InChI=1S/C13H8Cl3NO2/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18/h1-6,18H,(H,17,19)
InChIKey
BGEMAKTZPJNUSX-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

314.96207 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.96935 162.5
[M+Na]+ 337.95129 172.9
[M-H]- 313.95479 166.8
[M+NH4]+ 332.99589 177.9
[M+K]+ 353.92523 165.8
[M+H-H2O]+ 297.95933 158.3
[M+HCOO]- 359.96027 171.3
[M+CH3COO]- 373.97592 202.8
[M+Na-2H]- 335.93674 164.7
[M]+ 314.96152 165.7
[M]- 314.96262 165.7
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