CID 6536170

3-hydroxy-2,4,6-trichlorobenzaldehyde oxime

Structural Information

Molecular Formula
C7H4Cl3NO2
SMILES
C1=C(C(=C(C(=C1Cl)O)Cl)/C=N\O)Cl
InChI
InChI=1S/C7H4Cl3NO2/c8-4-1-5(9)7(12)6(10)3(4)2-11-13/h1-2,12-13H/b11-2-
InChIKey
TXBZBPJIMRFZRK-FUQNDXKWSA-N
Compound name
2,4,6-trichloro-3-[(Z)-hydroxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.93076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.93804 141.9
[M+Na]+ 261.91998 153.7
[M-H]- 237.92348 143.6
[M+NH4]+ 256.96458 160.7
[M+K]+ 277.89392 147.6
[M+H-H2O]+ 221.92802 139.8
[M+HCOO]- 283.92896 152.1
[M+CH3COO]- 297.94461 188.9
[M+Na-2H]- 259.90543 145.7
[M]+ 238.93021 145.0
[M]- 238.93131 145.0
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.