CID 3015742

1,4-bis(bromomethyl)-2,5-dimethylbenzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
CC1=CC(=C(C=C1CBr)C)CBr
InChI
InChI=1S/C10H12Br2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKey
MUSYLRHTIZVVCB-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)-2,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

289.93057 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 141.0
[M+Na]+ 312.91979 152.7
[M-H]- 288.92329 148.1
[M+NH4]+ 307.96439 161.1
[M+K]+ 328.89373 137.0
[M+H-H2O]+ 272.92783 149.3
[M+HCOO]- 334.92877 157.3
[M+CH3COO]- 348.94442 204.9
[M+Na-2H]- 310.90524 147.5
[M]+ 289.93002 175.9
[M]- 289.93112 175.9
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

patents stripe