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
1
Annotation Hits

0
References

22
Patents

309.84442 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85170 159.4
[M+Na]+ 332.83364 167.0
[M-H]- 308.83714 155.5
[M+NH4]+ 327.87824 172.8
[M+K]+ 348.80758 162.4
[M+H-H2O]+ 292.84168 157.6
[M+HCOO]- 354.84262 150.6
[M+CH3COO]- 368.85827 206.6
[M+Na-2H]- 330.81909 156.3
[M]+ 309.84387 156.4
[M]- 309.84497 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