CID 91757134

5-bromo-4-(dimethoxymethyl)benzo[d][1,3]dioxole

Structural Information

Molecular Formula
C10H11BrO4
SMILES
COC(C1=C(C=CC2=C1OCO2)Br)OC
InChI
InChI=1S/C10H11BrO4/c1-12-10(13-2)8-6(11)3-4-7-9(8)15-5-14-7/h3-4,10H,5H2,1-2H3
InChIKey
RGYIBHPUMNXVLL-UHFFFAOYSA-N
Compound name
5-bromo-4-(dimethoxymethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98407 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99135 154.1
[M+Na]+ 296.97329 165.7
[M-H]- 272.97679 162.6
[M+NH4]+ 292.01789 174.4
[M+K]+ 312.94723 158.9
[M+H-H2O]+ 256.98133 154.9
[M+HCOO]- 318.98227 173.0
[M+CH3COO]- 332.99792 193.3
[M+Na-2H]- 294.95874 161.1
[M]+ 273.98352 177.7
[M]- 273.98462 177.7
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

No patent data available for this compound.