CID 14761610

1,5-dibromo-2,4-bis-bromomethyl-benzene

Structural Information

Molecular Formula
C7H4Br4
SMILES
CC1=C(C(=CC(=C1Br)Br)Br)Br
InChI
InChI=1S/C7H4Br4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChIKey
BBHXYKROLWOEKT-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrabromo-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

403.70465 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.71193 143.7
[M+Na]+ 426.69387 150.9
[M-H]- 402.69737 148.2
[M+NH4]+ 421.73847 154.9
[M+K]+ 442.66781 137.7
[M+H-H2O]+ 386.70191 162.1
[M+HCOO]- 448.70285 150.0
[M+CH3COO]- 462.71850 234.3
[M+Na-2H]- 424.67932 147.0
[M]+ 403.70410 182.3
[M]- 403.70520 182.3
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