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

850
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 150.7
[M+Na]+ 406.72518 157.5
[M-H]- 382.72868 153.8
[M+NH4]+ 401.76978 161.9
[M+K]+ 422.69912 143.4
[M+H-H2O]+ 366.73322 168.6
[M+HCOO]- 428.73416 156.0
[M+CH3COO]- 442.74981 232.6
[M+Na-2H]- 404.71063 153.9
[M]+ 383.73541 188.8
[M]- 383.73651 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.