CID 14385961

59825-75-1

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

61
Patents

243.97351 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 146.1
[M+Na]+ 266.962728 157.8
[M-H]- 242.966234 154.4
[M+NH4]+ 262.007333 167.5
[M+K]+ 282.936668 150.4
[M+H-H2O]+ 226.970770 147.1
[M+HCOO]- 288.971711 166.2
[M+CH3COO]- 302.987361 186.6
[M+Na-2H]- 264.948176 155.5
[M]+ 243.97296142 168.3
[M]- 243.97405858 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