CID 75464

3,3-bis(bromomethyl)oxetane

Structural Information

Molecular Formula
C5H8Br2O
SMILES
C1C(CO1)(CBr)CBr
InChI
InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKey
QOPMHMFIIMJWET-UHFFFAOYSA-N
Compound name
3,3-bis(bromomethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

659
Patents

241.8942 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.901476 116.4
[M+Na]+ 264.883418 126.2
[M-H]- 240.886924 123.8
[M+NH4]+ 259.928023 133.1
[M+K]+ 280.857358 115.6
[M+H-H2O]+ 224.891460 122.6
[M+HCOO]- 286.892401 131.5
[M+CH3COO]- 300.908051 196.9
[M+Na-2H]- 262.868866 127.3
[M]+ 241.89365142 156.4
[M]- 241.89474858 156.4
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