CID 71596971

7-bromo-2-oxo-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H5BrO4
SMILES
C1=CC2=C(C=C1Br)OC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C10H5BrO4/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4H,(H,12,13)
InChIKey
VVQDKSRVNCYJNC-UHFFFAOYSA-N
Compound name
7-bromo-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

267.93713 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.944406 144.2
[M+Na]+ 290.926348 157.4
[M-H]- 266.929854 151.6
[M+NH4]+ 285.970953 163.7
[M+K]+ 306.900288 147.8
[M+H-H2O]+ 250.934390 144.5
[M+HCOO]- 312.935331 163.5
[M+CH3COO]- 326.950981 190.4
[M+Na-2H]- 288.911796 152.9
[M]+ 267.93658142 165.3
[M]- 267.93767858 165.3
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