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]+ 195.001526 129.0
[M+Na]+ 216.983468 135.7
[M-H]- 192.986974 136.3
[M+NH4]+ 212.028073 147.7
[M+K]+ 232.957408 132.9
[M+H-H2O]+ 176.991510 129.9
[M+HCOO]- 238.992451 145.8
[M+CH3COO]- 253.008101 180.6
[M+Na-2H]- 214.968916 138.0
[M]+ 193.99370142 142.1
[M]- 193.99479858 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.