CID 15206

1522-92-5

Structural Information

Molecular Formula
C5H9Br3O
SMILES
C(C(CBr)(CBr)CBr)O
InChI
InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChIKey
QEJPOEGPNIVDMK-UHFFFAOYSA-N
Compound name
3-bromo-2,2-bis(bromomethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1926
Patents

321.82034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.82762 141.7
[M+Na]+ 344.80956 149.6
[M-H]- 320.81306 144.6
[M+NH4]+ 339.85416 157.0
[M+K]+ 360.78350 133.3
[M+H-H2O]+ 304.81760 156.3
[M+HCOO]- 366.81854 150.3
[M+CH3COO]- 380.83419 215.2
[M+Na-2H]- 342.79501 147.4
[M]+ 321.81979 181.8
[M]- 321.82089 181.8
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