CID 14339720

115044-73-0

Structural Information

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

2D Structure

compound 2d structure
4
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]+ 264.93328 152.0
[M+Na]+ 286.91522 165.7
[M-H]- 262.91872 153.6
[M+NH4]+ 281.95982 168.1
[M+K]+ 302.88916 159.3
[M+H-H2O]+ 246.92326 144.2
[M+HCOO]- 308.92420 158.6
[M+CH3COO]- 322.93985 205.7
[M+Na-2H]- 284.90067 152.5
[M]+ 263.92545 149.5
[M]- 263.92655 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.