CID 725495

6,8-dibromo-2-oxo-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H4Br2O4
SMILES
C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C(=O)O
InChI
InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
InChIKey
KJFIZDKBEUTEPR-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

40
Patents

345.84763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.85491 146.0
[M+Na]+ 368.83685 157.8
[M-H]- 344.84035 153.4
[M+NH4]+ 363.88145 162.9
[M+K]+ 384.81079 144.0
[M+H-H2O]+ 328.84489 153.9
[M+HCOO]- 390.84583 160.1
[M+CH3COO]- 404.86148 207.7
[M+Na-2H]- 366.82230 153.4
[M]+ 345.84708 182.1
[M]- 345.84818 182.1
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