CID 7889

1,3-dibromobutane

Structural Information

Molecular Formula
C4H8Br2
SMILES
CC(CCBr)Br
InChI
InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey
XZNGUVQDFJHPLU-UHFFFAOYSA-N
Compound name
1,3-dibromobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1117
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 126.7
[M+Na]+ 236.888498 137.6
[M-H]- 212.892004 131.1
[M+NH4]+ 231.933103 148.6
[M+K]+ 252.862438 122.9
[M+H-H2O]+ 196.896540 135.3
[M+HCOO]- 258.897481 142.5
[M+CH3COO]- 272.913131 193.1
[M+Na-2H]- 234.873946 134.5
[M]+ 213.89873142 160.2
[M]- 213.89982858 160.2
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