CID 10489151

2-(5-bromopentyl)tetrahydrofuran

Structural Information

Molecular Formula
C9H17BrO
SMILES
C1CC(OC1)CCCCCBr
InChI
InChI=1S/C9H17BrO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-8H2
InChIKey
SQQSDJQBRWFOME-UHFFFAOYSA-N
Compound name
2-(5-bromopentyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 148.9
[M+Na]+ 243.03550 157.7
[M-H]- 219.03900 154.6
[M+NH4]+ 238.08010 171.2
[M+K]+ 259.00944 148.7
[M+H-H2O]+ 203.04354 149.2
[M+HCOO]- 265.04448 168.1
[M+CH3COO]- 279.06013 184.7
[M+Na-2H]- 241.02095 154.4
[M]+ 220.04573 167.0
[M]- 220.04683 167.0
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

No patent data available for this compound.