CID 3056880

73855-39-7

Structural Information

Molecular Formula
C10H3Cl6NO2
SMILES
C1=C(C=C(C2=C1C(=O)C(=C(N2O)C(Cl)(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H3Cl6NO2/c11-3-1-4-7(5(12)2-3)17(19)9(10(14,15)16)6(13)8(4)18/h1-2,19H
InChIKey
ZUAVEGOLYVBJCG-UHFFFAOYSA-N
Compound name
3,6,8-trichloro-1-hydroxy-2-(trichloromethyl)quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.8295 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.83678 173.1
[M+Na]+ 401.81872 183.6
[M-H]- 377.82222 168.8
[M+NH4]+ 396.86332 184.2
[M+K]+ 417.79266 179.3
[M+H-H2O]+ 361.82676 170.3
[M+HCOO]- 423.82770 161.8
[M+CH3COO]- 437.84335 213.3
[M+Na-2H]- 399.80417 172.0
[M]+ 378.82895 172.0
[M]- 378.83005 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.