CID 556928

2-(4-bromobutyl)furan

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1=COC(=C1)CCCCBr
InChI
InChI=1S/C8H11BrO/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2
InChIKey
FDHJCSVJGZHEOQ-UHFFFAOYSA-N
Compound name
2-(4-bromobutyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

201.99933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 139.2
[M+Na]+ 224.988548 150.5
[M-H]- 200.992054 145.9
[M+NH4]+ 220.033153 162.5
[M+K]+ 240.962488 141.4
[M+H-H2O]+ 184.996590 139.9
[M+HCOO]- 246.997531 161.6
[M+CH3COO]- 261.013181 181.2
[M+Na-2H]- 222.973996 147.3
[M]+ 201.99878142 159.9
[M]- 201.99987858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe