CID 5074274

1,3-dibromo-4,6-bis-chloromethyl-2,5-dimethyl-benzene

Structural Information

Molecular Formula
C10H10Br2Cl2
SMILES
CC1=C(C(=C(C(=C1CCl)Br)C)Br)CCl
InChI
InChI=1S/C10H10Br2Cl2/c1-5-7(3-13)9(11)6(2)10(12)8(5)4-14/h3-4H2,1-2H3
InChIKey
YMWPHMBEQJWBBB-UHFFFAOYSA-N
Compound name
1,5-dibromo-2,4-bis(chloromethyl)-3,6-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.85263 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.85991 149.6
[M+Na]+ 380.84185 164.3
[M-H]- 356.84535 156.6
[M+NH4]+ 375.88645 169.1
[M+K]+ 396.81579 145.5
[M+H-H2O]+ 340.84989 159.0
[M+HCOO]- 402.85083 158.2
[M+CH3COO]- 416.86648 212.8
[M+Na-2H]- 378.82730 154.2
[M]+ 357.85208 186.5
[M]- 357.85318 186.5
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.