CID 94047

1,2,5,6-tetrabromohexane

Structural Information

Molecular Formula
C6H10Br4
SMILES
C(CC(CBr)Br)C(CBr)Br
InChI
InChI=1S/C6H10Br4/c7-3-5(9)1-2-6(10)4-8/h5-6H,1-4H2
InChIKey
WPBWUVCMCYXPFI-UHFFFAOYSA-N
Compound name
1,2,5,6-tetrabromohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

397.7516 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.75888 151.0
[M+Na]+ 420.74082 157.3
[M-H]- 396.74432 154.0
[M+NH4]+ 415.78542 161.9
[M+K]+ 436.71476 143.3
[M+H-H2O]+ 380.74886 168.7
[M+HCOO]- 442.74980 156.1
[M+CH3COO]- 456.76545 234.0
[M+Na-2H]- 418.72627 153.2
[M]+ 397.75105 189.0
[M]- 397.75215 189.0
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