CID 18692

3296-90-0

Structural Information

Molecular Formula
C5H10Br2O2
SMILES
C(C(CO)(CBr)CBr)O
InChI
InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKey
CHUGKEQJSLOLHL-UHFFFAOYSA-N
Compound name
2,2-bis(bromomethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

7363
Patents

259.90475 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.91203 139.5
[M+Na]+ 282.89397 149.3
[M-H]- 258.89747 141.3
[M+NH4]+ 277.93857 158.6
[M+K]+ 298.86791 133.2
[M+H-H2O]+ 242.90201 147.6
[M+HCOO]- 304.90295 152.2
[M+CH3COO]- 318.91860 193.8
[M+Na-2H]- 280.87942 146.7
[M]+ 259.90420 172.3
[M]- 259.90530 172.3
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.