CID 76701

Pentaerythrityl tetrabromide

Structural Information

Molecular Formula
C5H8Br4
SMILES
C(C(CBr)(CBr)CBr)Br
InChI
InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2
InChIKey
OYSVBCSOQFXYHK-UHFFFAOYSA-N
Compound name
1,3-dibromo-2,2-bis(bromomethyl)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

702
Patents

383.73596 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.74324 158.0
[M+Na]+ 406.72518 152.9
[M+NH4]+ 401.76978 158.9
[M+K]+ 422.69912 159.2
[M-H]- 382.72868 159.6
[M+Na-2H]- 404.71063 159.2
[M]+ 383.73541 158.1
[M]- 383.73651 158.1
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