CID 14385961

5-(2-bromoethoxy)-2h-1,3-benzodioxole

Structural Information

Molecular Formula
C9H9BrO3
SMILES
C1OC2=C(O1)C=C(C=C2)OCCBr
InChI
InChI=1S/C9H9BrO3/c10-3-4-11-7-1-2-8-9(5-7)13-6-12-8/h1-2,5H,3-4,6H2
InChIKey
URIVYBLQEIFBAU-UHFFFAOYSA-N
Compound name
5-(2-bromoethoxy)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

243.97351 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 146.1
[M+Na]+ 266.96273 157.8
[M-H]- 242.96623 154.4
[M+NH4]+ 262.00733 167.5
[M+K]+ 282.93667 150.4
[M+H-H2O]+ 226.97077 147.1
[M+HCOO]- 288.97171 166.2
[M+CH3COO]- 302.98736 186.6
[M+Na-2H]- 264.94818 155.5
[M]+ 243.97296 168.3
[M]- 243.97406 168.3
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