CID 85981274

1,3-dibromo-5-(bromomethyl)-2-methylbenzene

Structural Information

Molecular Formula
C8H7Br3
SMILES
CC1=C(C=C(C=C1Br)CBr)Br
InChI
InChI=1S/C8H7Br3/c1-5-7(10)2-6(4-9)3-8(5)11/h2-3H,4H2,1H3
InChIKey
OIKAOISZIMJZSZ-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(bromomethyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.80978 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.81706 136.4
[M+Na]+ 362.79900 145.4
[M-H]- 338.80250 142.3
[M+NH4]+ 357.84360 152.2
[M+K]+ 378.77294 130.1
[M+H-H2O]+ 322.80704 151.7
[M+HCOO]- 384.80798 147.2
[M+CH3COO]- 398.82363 219.4
[M+Na-2H]- 360.78445 142.2
[M]+ 339.80923 177.5
[M]- 339.81033 177.5
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.