CID 198205

39568-89-3

Structural Information

Molecular Formula
C8H6Cl4O2
SMILES
C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CO)Cl)O
InChI
InChI=1S/C8H6Cl4O2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/h13-14H,1-2H2
InChIKey
JYLBVCKNJDTYGB-UHFFFAOYSA-N
Compound name
[2,3,4,6-tetrachloro-5-(hydroxymethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

273.9122 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.91948 147.0
[M+Na]+ 296.90142 158.5
[M-H]- 272.90492 145.9
[M+NH4]+ 291.94602 163.8
[M+K]+ 312.87536 152.0
[M+H-H2O]+ 256.90946 146.1
[M+HCOO]- 318.91040 148.7
[M+CH3COO]- 332.92605 193.4
[M+Na-2H]- 294.88687 147.9
[M]+ 273.91165 149.4
[M]- 273.91275 149.4
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

patents stripe