CID 154814433

4-(dibromomethylidene)oxane

Structural Information

Molecular Formula
C6H8Br2O
SMILES
C1COCCC1=C(Br)Br
InChI
InChI=1S/C6H8Br2O/c7-6(8)5-1-3-9-4-2-5/h1-4H2
InChIKey
IELPEJKXODGDKA-UHFFFAOYSA-N
Compound name
4-(dibromomethylidene)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.8942 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.90148 136.9
[M+Na]+ 276.88342 145.5
[M-H]- 252.88692 143.4
[M+NH4]+ 271.92802 156.0
[M+K]+ 292.85736 131.9
[M+H-H2O]+ 236.89146 145.5
[M+HCOO]- 298.89240 149.7
[M+CH3COO]- 312.90805 194.9
[M+Na-2H]- 274.86887 143.8
[M]+ 253.89365 167.1
[M]- 253.89475 167.1
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.