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

39
Patents

257.98917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 151.0
[M+Na]+ 280.978388 162.2
[M-H]- 256.981894 159.0
[M+NH4]+ 276.022993 171.8
[M+K]+ 296.952328 154.6
[M+H-H2O]+ 240.986430 151.7
[M+HCOO]- 302.987371 170.7
[M+CH3COO]- 317.003021 189.4
[M+Na-2H]- 278.963836 159.7
[M]+ 257.98862142 173.5
[M]- 257.98971858 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