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
3
Annotation Hits

1
References

856
Patents

383.73596 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.743236 150.7
[M+Na]+ 406.725178 157.5
[M-H]- 382.728684 153.8
[M+NH4]+ 401.769783 161.9
[M+K]+ 422.699118 143.4
[M+H-H2O]+ 366.733220 168.6
[M+HCOO]- 428.734161 156.0
[M+CH3COO]- 442.749811 232.6
[M+Na-2H]- 404.710626 153.9
[M]+ 383.73541142 188.8
[M]- 383.73650858 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

literature stripe

Patent stripe

patents stripe