CID 21996143

4-(2-bromoethylidene)oxane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1COCCC1=CCBr
InChI
InChI=1S/C7H11BrO/c8-4-1-7-2-5-9-6-3-7/h1H,2-6H2
InChIKey
ALIMDXRFPWKTBB-UHFFFAOYSA-N
Compound name
4-(2-bromoethylidene)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

189.99933 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 135.1
[M+Na]+ 212.98855 144.0
[M-H]- 188.99205 141.1
[M+NH4]+ 208.03315 156.8
[M+K]+ 228.96249 135.0
[M+H-H2O]+ 172.99659 135.8
[M+HCOO]- 234.99753 153.2
[M+CH3COO]- 249.01318 177.8
[M+Na-2H]- 210.97400 143.2
[M]+ 189.99878 150.1
[M]- 189.99988 150.1
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

patents stripe