CID 111368

Oxetane, dibromo-

Structural Information

Molecular Formula
C3H4Br2O
SMILES
C1C(C(O1)Br)Br
InChI
InChI=1S/C3H4Br2O/c4-2-1-6-3(2)5/h2-3H,1H2
InChIKey
YHOHUAPVAAHWCW-UHFFFAOYSA-N
Compound name
2,3-dibromooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.86288 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.87016 108.4
[M+Na]+ 236.85210 118.9
[M-H]- 212.85560 116.0
[M+NH4]+ 231.89670 124.6
[M+K]+ 252.82604 108.6
[M+H-H2O]+ 196.86014 113.7
[M+HCOO]- 258.86108 124.0
[M+CH3COO]- 272.87673 193.6
[M+Na-2H]- 234.83755 118.9
[M]+ 213.86233 147.6
[M]- 213.86343 147.6
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