CID 10911396

1,3-benzodioxole, 6-bromo-4-methoxy-

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC1=CC(=CC2=C1OCO2)Br
InChI
InChI=1S/C8H7BrO3/c1-10-6-2-5(9)3-7-8(6)12-4-11-7/h2-3H,4H2,1H3
InChIKey
PQIWDZBUHXVOKA-UHFFFAOYSA-N
Compound name
6-bromo-4-methoxy-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

229.95786 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 141.0
[M+Na]+ 252.94708 154.0
[M-H]- 228.95058 149.9
[M+NH4]+ 247.99168 163.2
[M+K]+ 268.92102 146.8
[M+H-H2O]+ 212.95512 142.4
[M+HCOO]- 274.95606 161.5
[M+CH3COO]- 288.97171 184.9
[M+Na-2H]- 250.93253 150.3
[M]+ 229.95731 163.3
[M]- 229.95841 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe