CID 85536

Isopropylidene bis-tetrachlorophenol

Structural Information

Molecular Formula
C15H8Cl8O2
SMILES
CC(C)(C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C15H8Cl8O2/c1-15(2,3-5(16)9(20)13(24)10(21)6(3)17)4-7(18)11(22)14(25)12(23)8(4)19/h24-25H,1-2H3
InChIKey
OJTHLNYBRBMCBW-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloro-4-[2-(2,3,5,6-tetrachloro-4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

847
Patents

499.80325 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.81053 203.3
[M+Na]+ 522.79247 209.7
[M-H]- 498.79597 196.2
[M+NH4]+ 517.83707 208.1
[M+K]+ 538.76641 208.1
[M+H-H2O]+ 482.80051 200.8
[M+HCOO]- 544.80145 183.5
[M+CH3COO]- 558.81710 234.3
[M+Na-2H]- 520.77792 193.1
[M]+ 499.80270 196.5
[M]- 499.80380 196.5
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