CID 15708903

109678-33-3

Structural Information

Molecular Formula
C10H18Br4O3
SMILES
C(C(COCC(CO)(CBr)CBr)(CBr)CBr)O
InChI
InChI=1S/C10H18Br4O3/c11-1-9(2-12,5-15)7-17-8-10(3-13,4-14)6-16/h15-16H,1-8H2
InChIKey
PSOOUFUNTVOUML-UHFFFAOYSA-N
Compound name
2-[[2,2-bis(bromomethyl)-3-hydroxypropoxy]methyl]-3-bromo-2-(bromomethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

501.79895 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.80623 166.7
[M+Na]+ 524.78817 161.3
[M+NH4]+ 519.83277 167.3
[M+K]+ 540.76211 167.4
[M-H]- 500.79167 168.0
[M+Na-2H]- 522.77362 167.1
[M]+ 501.79840 166.7
[M]- 501.79950 166.7
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

patents stripe