CID 53691871

2-(2-bromoethyl)oxolane

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(OC1)CCBr
InChI
InChI=1S/C6H11BrO/c7-4-3-6-2-1-5-8-6/h6H,1-5H2
InChIKey
GJDABTPRDFGPCR-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 134.8
[M+Na]+ 200.988548 144.9
[M-H]- 176.992054 141.1
[M+NH4]+ 196.033153 158.7
[M+K]+ 216.962488 136.6
[M+H-H2O]+ 160.996590 135.7
[M+HCOO]- 222.997531 155.0
[M+CH3COO]- 237.013181 176.2
[M+Na-2H]- 198.973996 142.0
[M]+ 177.99878142 152.0
[M]- 177.99987858 152.0
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

patents stripe