CID 121597761

2-(bromomethyl)-1,4-dioxepane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C1COCC(OC1)CBr
InChI
InChI=1S/C6H11BrO2/c7-4-6-5-8-2-1-3-9-6/h6H,1-5H2
InChIKey
LLCPJHFMUBGJLZ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-dioxepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99425 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 129.0
[M+Na]+ 216.98347 135.7
[M-H]- 192.98697 136.3
[M+NH4]+ 212.02807 147.7
[M+K]+ 232.95741 132.9
[M+H-H2O]+ 176.99151 129.9
[M+HCOO]- 238.99245 145.8
[M+CH3COO]- 253.00810 180.6
[M+Na-2H]- 214.96892 138.0
[M]+ 193.99370 142.1
[M]- 193.99480 142.1
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.