CID 499703

Nsc700249

Structural Information

Molecular Formula
C8H9BrO4
SMILES
COC(=O)C1C(C1=CBr)C(=O)OC
InChI
InChI=1S/C8H9BrO4/c1-12-7(10)5-4(3-9)6(5)8(11)13-2/h3,5-6H,1-2H3
InChIKey
HVNQHXDTUVIKKT-UHFFFAOYSA-N
Compound name
dimethyl 3-(bromomethylidene)cyclopropane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97569 144.8
[M+Na]+ 270.95763 158.4
[M-H]- 246.96113 152.3
[M+NH4]+ 266.00223 161.6
[M+K]+ 286.93157 147.3
[M+H-H2O]+ 230.96567 144.4
[M+HCOO]- 292.96661 165.1
[M+CH3COO]- 306.98226 192.0
[M+Na-2H]- 268.94308 148.8
[M]+ 247.96786 168.0
[M]- 247.96896 168.0
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.