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

7733
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

literature stripe

Patent stripe

patents stripe