CID 263687

1-bromo-2,3,5,6-tetramethyl-4-(trichloromethyl)benzene

Structural Information

Molecular Formula
C11H12BrCl3
SMILES
CC1=C(C(=C(C(=C1C(Cl)(Cl)Cl)C)C)Br)C
InChI
InChI=1S/C11H12BrCl3/c1-5-7(3)10(12)8(4)6(2)9(5)11(13,14)15/h1-4H3
InChIKey
GMXDCDANZLPRFE-UHFFFAOYSA-N
Compound name
1-bromo-2,3,5,6-tetramethyl-4-(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.9188 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.92608 163.4
[M+Na]+ 350.90802 170.3
[M+NH4]+ 345.95262 169.2
[M+K]+ 366.88196 167.5
[M-H]- 326.91152 164.2
[M+Na-2H]- 348.89347 166.6
[M]+ 327.91825 164.6
[M]- 327.91935 164.6
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.