CID 220296

4,6-bis(chloromethyl)-m-xylene

Structural Information

Molecular Formula
C10H12Cl2
SMILES
CC1=CC(=C(C=C1CCl)CCl)C
InChI
InChI=1S/C10H12Cl2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKey
JALHTPIEJQBDEN-UHFFFAOYSA-N
Compound name
1,5-bis(chloromethyl)-2,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

202.0316 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03888 139.1
[M+Na]+ 225.02082 155.3
[M+NH4]+ 220.06542 149.5
[M+K]+ 240.99476 146.1
[M-H]- 201.02432 142.6
[M+Na-2H]- 223.00627 147.2
[M]+ 202.03105 143.3
[M]- 202.03215 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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