CID 56650009

773109-55-0

Structural Information

Molecular Formula
C11H7BrO4
SMILES
CC1=C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C11H7BrO4/c1-5-7-4-6(12)2-3-8(7)16-11(15)9(5)10(13)14/h2-4H,1H3,(H,13,14)
InChIKey
BWBWVUJRXNIUMA-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.95276 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96004 148.4
[M+Na]+ 304.94198 162.0
[M-H]- 280.94548 155.9
[M+NH4]+ 299.98658 167.6
[M+K]+ 320.91592 152.2
[M+H-H2O]+ 264.95002 148.6
[M+HCOO]- 326.95096 167.4
[M+CH3COO]- 340.96661 194.4
[M+Na-2H]- 302.92743 156.0
[M]+ 281.95221 170.2
[M]- 281.95331 170.2
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