CID 15221

1,2,3,4-tetrabromobutane

Structural Information

Molecular Formula
C4H6Br4
SMILES
C(C(C(CBr)Br)Br)Br
InChI
InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
InChIKey
HGRZLIGHKHRTRE-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrabromobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1873
Patents

369.7203 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.72758 146.3
[M+Na]+ 392.70952 152.8
[M-H]- 368.71302 149.4
[M+NH4]+ 387.75412 157.6
[M+K]+ 408.68346 139.0
[M+H-H2O]+ 352.71756 164.1
[M+HCOO]- 414.71850 151.6
[M+CH3COO]- 428.73415 232.1
[M+Na-2H]- 390.69497 149.0
[M]+ 369.71975 184.0
[M]- 369.72085 184.0
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