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]+ 274.991346 154.1
[M+Na]+ 296.973288 165.7
[M-H]- 272.976794 162.6
[M+NH4]+ 292.017893 174.4
[M+K]+ 312.947228 158.9
[M+H-H2O]+ 256.981330 154.9
[M+HCOO]- 318.982271 173.0
[M+CH3COO]- 332.997921 193.3
[M+Na-2H]- 294.958736 161.1
[M]+ 273.98352142 177.7
[M]- 273.98461858 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.