CID 76159

1,1'-methylenebis(2,4,5-trichlorobenzene)

Structural Information

Molecular Formula
C13H6Cl6
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)CC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H6Cl6/c14-8-4-12(18)10(16)2-6(8)1-7-3-11(17)13(19)5-9(7)15/h2-5H,1H2
InChIKey
USIOLZNYOHTTHA-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-[(2,4,5-trichlorophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.86008 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.86736 176.4
[M+Na]+ 394.84930 186.1
[M-H]- 370.85280 175.0
[M+NH4]+ 389.89390 188.3
[M+K]+ 410.82324 180.3
[M+H-H2O]+ 354.85734 172.6
[M+HCOO]- 416.85828 168.7
[M+CH3COO]- 430.87393 183.2
[M+Na-2H]- 392.83475 172.8
[M]+ 371.85953 175.4
[M]- 371.86063 175.4
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