CID 8056

1,4-dibromobutane

Structural Information

Molecular Formula
C4H8Br2
SMILES
C(CCBr)CBr
InChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2
InChIKey
ULTHEAFYOOPTTB-UHFFFAOYSA-N
Compound name
1,4-dibromobutane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

24193
Patents

213.89928 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.906556 125.2
[M+Na]+ 236.888498 136.3
[M-H]- 212.892004 129.6
[M+NH4]+ 231.933103 147.2
[M+K]+ 252.862438 121.4
[M+H-H2O]+ 196.896540 133.9
[M+HCOO]- 258.897481 141.9
[M+CH3COO]- 272.913131 192.5
[M+Na-2H]- 234.873946 134.1
[M]+ 213.89873142 159.2
[M]- 213.89982858 159.2
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