CID 58316128

Ethyl 7-bromobenzo[d][1,3]dioxole-4-carboxylate

Structural Information

Molecular Formula
C10H9BrO4
SMILES
CCOC(=O)C1=C2C(=C(C=C1)Br)OCO2
InChI
InChI=1S/C10H9BrO4/c1-2-13-10(12)6-3-4-7(11)9-8(6)14-5-15-9/h3-4H,2,5H2,1H3
InChIKey
RMOIBSUSLJZWAM-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-1,3-benzodioxole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

271.9684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97568 152.7
[M+Na]+ 294.95762 164.7
[M-H]- 270.96112 161.3
[M+NH4]+ 290.00222 173.1
[M+K]+ 310.93156 157.4
[M+H-H2O]+ 254.96566 153.6
[M+HCOO]- 316.96660 171.9
[M+CH3COO]- 330.98225 192.0
[M+Na-2H]- 292.94307 159.8
[M]+ 271.96785 175.6
[M]- 271.96895 175.6
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