CID 53430959

8-bromo-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7BrO3
SMILES
C1C(=CC2=C(O1)C(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C10H7BrO3/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-4H,5H2,(H,12,13)
InChIKey
REMJHKGWSWFEBJ-UHFFFAOYSA-N
Compound name
8-bromo-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

253.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.965136 145.2
[M+Na]+ 276.947078 156.5
[M-H]- 252.950584 151.8
[M+NH4]+ 271.991683 164.9
[M+K]+ 292.921018 146.9
[M+H-H2O]+ 236.955120 145.6
[M+HCOO]- 298.956061 162.8
[M+CH3COO]- 312.971711 188.2
[M+Na-2H]- 274.932526 153.5
[M]+ 253.95731142 163.9
[M]- 253.95840858 163.9
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