CID 12488071

3r7tgk3lyg

Structural Information

Molecular Formula
C19H7Cl9
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C(C2=CC(=C(C=C2Cl)Cl)Cl)C3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C19H7Cl9/c20-10-4-16(26)13(23)1-7(10)19(8-2-14(24)17(27)5-11(8)21)9-3-15(25)18(28)6-12(9)22/h1-6,19H
InChIKey
NCQDNZGEBCBEEZ-UHFFFAOYSA-N
Compound name
1-[bis(2,4,5-trichlorophenyl)methyl]-2,4,5-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.7745 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.78178 217.1
[M+Na]+ 572.76372 221.0
[M-H]- 548.76722 209.4
[M+NH4]+ 567.80832 219.2
[M+K]+ 588.73766 220.7
[M+H-H2O]+ 532.77176 211.0
[M+HCOO]- 594.77270 195.4
[M+CH3COO]- 608.78835 215.4
[M+Na-2H]- 570.74917 204.2
[M]+ 549.77395 207.5
[M]- 549.77505 207.5
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

No patent data available for this compound.