CID 139922240

3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
CC1=CC(=C(C(=C1C)Br)C)CBr
InChI
InChI=1S/C10H12Br2/c1-6-4-9(5-11)8(3)10(12)7(6)2/h4H,5H2,1-3H3
InChIKey
DJIMZFVKDFEFQA-UHFFFAOYSA-N
Compound name
3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.93057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 140.0
[M+Na]+ 312.91979 152.4
[M-H]- 288.92329 147.4
[M+NH4]+ 307.96439 160.3
[M+K]+ 328.89373 136.7
[M+H-H2O]+ 272.92783 148.4
[M+HCOO]- 334.92877 156.3
[M+CH3COO]- 348.94442 205.8
[M+Na-2H]- 310.90524 146.1
[M]+ 289.93002 175.1
[M]- 289.93112 175.1
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.