CID 170914821

3,4-bis(bromomethyl)oxolane

Structural Information

Molecular Formula
C6H10Br2O
SMILES
C1C(C(CO1)CBr)CBr
InChI
InChI=1S/C6H10Br2O/c7-1-5-3-9-4-6(5)2-8/h5-6H,1-4H2
InChIKey
QWELCAIHYZKTPP-UHFFFAOYSA-N
Compound name
3,4-bis(bromomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.90984 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.917116 141.2
[M+Na]+ 278.899058 151.6
[M-H]- 254.902564 148.2
[M+NH4]+ 273.943663 162.1
[M+K]+ 294.872998 138.1
[M+H-H2O]+ 238.907100 149.7
[M+HCOO]- 300.908041 156.3
[M+CH3COO]- 314.923691 196.1
[M+Na-2H]- 276.884506 147.4
[M]+ 255.90929142 174.1
[M]- 255.91038858 174.1
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.