CID 14252255

76253-60-6

Structural Information

Molecular Formula
C14H10Cl4
SMILES
CC1=C(C(=C(C=C1)Cl)Cl)CC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl4/c1-8-5-6-12(16)14(18)10(8)7-9-3-2-4-11(15)13(9)17/h2-6H,7H2,1H3
InChIKey
VFDKJOGFZHCXDA-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.95367 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.96095 164.2
[M+Na]+ 340.94289 175.7
[M-H]- 316.94639 167.5
[M+NH4]+ 335.98749 180.2
[M+K]+ 356.91683 168.0
[M+H-H2O]+ 300.95093 160.0
[M+HCOO]- 362.95187 167.4
[M+CH3COO]- 376.96752 174.9
[M+Na-2H]- 338.92834 164.7
[M]+ 317.95312 167.7
[M]- 317.95422 167.7
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