CID 2749734

41999-84-2

Structural Information

Molecular Formula
C8H4Cl6
SMILES
C1=C(C(=CC(=C1Cl)C(Cl)Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C8H4Cl6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,7-8H
InChIKey
AYFZLXIPQYMONU-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,5-bis(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

309.84442 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.851696 159.4
[M+Na]+ 332.833638 167.0
[M-H]- 308.837144 155.5
[M+NH4]+ 327.878243 172.8
[M+K]+ 348.807578 162.4
[M+H-H2O]+ 292.841680 157.6
[M+HCOO]- 354.842621 150.6
[M+CH3COO]- 368.858271 206.6
[M+Na-2H]- 330.819086 156.3
[M]+ 309.84387142 156.4
[M]- 309.84496858 156.4
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