CID 57443308

Methyl 2-bromo-4-formylbenzoate

Structural Information

Molecular Formula
C9H7BrO3
SMILES
COC(=O)C1=C(C=C(C=C1)C=O)Br
InChI
InChI=1S/C9H7BrO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3
InChIKey
HVGRXTUWUNHKJB-UHFFFAOYSA-N
Compound name
methyl 2-bromo-4-formylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

241.95786 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.965136 139.4
[M+Na]+ 264.947078 151.9
[M-H]- 240.950584 146.3
[M+NH4]+ 259.991683 160.9
[M+K]+ 280.921018 141.8
[M+H-H2O]+ 224.955120 139.7
[M+HCOO]- 286.956061 161.5
[M+CH3COO]- 300.971711 188.3
[M+Na-2H]- 262.932526 146.2
[M]+ 241.95731142 160.7
[M]- 241.95840858 160.7
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

patents stripe