CID 3048867

Phenol, butyltetrachloro-

Structural Information

Molecular Formula
C10H10Cl4O
SMILES
CCCCC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C10H10Cl4O/c1-2-3-4-5-6(11)7(12)8(13)9(14)10(5)15/h15H,2-4H2,1H3
InChIKey
HMBXFYBNPMMRJD-UHFFFAOYSA-N
Compound name
2-butyl-3,4,5,6-tetrachlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.94858 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.95586 154.0
[M+Na]+ 308.93780 165.2
[M-H]- 284.94130 153.7
[M+NH4]+ 303.98240 171.0
[M+K]+ 324.91174 158.4
[M+H-H2O]+ 268.94584 152.3
[M+HCOO]- 330.94678 156.1
[M+CH3COO]- 344.96243 199.2
[M+Na-2H]- 306.92325 154.1
[M]+ 285.94803 157.3
[M]- 285.94913 157.3
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.