CID 11323262

1,2-dimethyl 4-bromobenzene-1,2-dicarboxylate

Structural Information

Molecular Formula
C10H9BrO4
SMILES
COC(=O)C1=C(C=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C10H9BrO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3
InChIKey
AMNIKUDFXYWYSY-UHFFFAOYSA-N
Compound name
dimethyl 4-bromobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

271.9684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97568 147.0
[M+Na]+ 294.95762 158.7
[M-H]- 270.96112 153.7
[M+NH4]+ 290.00222 167.2
[M+K]+ 310.93156 149.4
[M+H-H2O]+ 254.96566 146.9
[M+HCOO]- 316.96660 168.0
[M+CH3COO]- 330.98225 193.2
[M+Na-2H]- 292.94307 152.1
[M]+ 271.96785 169.3
[M]- 271.96895 169.3
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