CID 10912216

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

Structural Information

Molecular Formula
C10H11BrO3
SMILES
C1OC2=C(O1)C=C(C=C2)OCCCBr
InChI
InChI=1S/C10H11BrO3/c11-4-1-5-12-8-2-3-9-10(6-8)14-7-13-9/h2-3,6H,1,4-5,7H2
InChIKey
LZVZRLKAMWQNLU-UHFFFAOYSA-N
Compound name
5-(3-bromopropoxy)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

257.98917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 151.0
[M+Na]+ 280.97839 162.2
[M-H]- 256.98189 159.0
[M+NH4]+ 276.02299 171.8
[M+K]+ 296.95233 154.6
[M+H-H2O]+ 240.98643 151.7
[M+HCOO]- 302.98737 170.7
[M+CH3COO]- 317.00302 189.4
[M+Na-2H]- 278.96384 159.7
[M]+ 257.98862 173.5
[M]- 257.98972 173.5
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