CID 91151095

2,4,5-trichloro-3-cyano-6-hydroxybenzamide

Structural Information

Molecular Formula
C8H3Cl3N2O2
SMILES
C(#N)C1=C(C(=C(C(=C1Cl)Cl)O)C(=O)N)Cl
InChI
InChI=1S/C8H3Cl3N2O2/c9-4-2(1-12)5(10)6(11)7(14)3(4)8(13)15/h14H,(H2,13,15)
InChIKey
IODGSFOOWTXKAE-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-3-cyano-6-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

0
Patents

263.926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.933276 152.0
[M+Na]+ 286.915218 165.7
[M-H]- 262.918724 153.6
[M+NH4]+ 281.959823 168.1
[M+K]+ 302.889158 159.3
[M+H-H2O]+ 246.923260 144.2
[M+HCOO]- 308.924201 158.6
[M+CH3COO]- 322.939851 205.7
[M+Na-2H]- 284.900666 152.5
[M]+ 263.92545142 149.5
[M]- 263.92654858 149.5
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

No patent data available for this compound.