CID 75481285

4-bromooxane-4-carbonyl chloride

Structural Information

Molecular Formula
C6H8BrClO2
SMILES
C1COCCC1(C(=O)Cl)Br
InChI
InChI=1S/C6H8BrClO2/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2
InChIKey
NXUDQYXLUDZDPL-UHFFFAOYSA-N
Compound name
4-bromooxane-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.93962 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94690 136.1
[M+Na]+ 248.92884 146.8
[M-H]- 224.93234 142.6
[M+NH4]+ 243.97344 159.0
[M+K]+ 264.90278 137.0
[M+H-H2O]+ 208.93688 138.6
[M+HCOO]- 270.93782 149.5
[M+CH3COO]- 284.95347 181.4
[M+Na-2H]- 246.91429 144.5
[M]+ 225.93907 153.8
[M]- 225.94017 153.8
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.