CID 21221834

181477-10-1

Structural Information

Molecular Formula
C11H9BrO3
SMILES
C1C(C(=O)C2=C1C=CC(=C2)Br)CC(=O)O
InChI
InChI=1S/C11H9BrO3/c12-8-2-1-6-3-7(4-10(13)14)11(15)9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)
InChIKey
FVODCNPPJOKTQC-UHFFFAOYSA-N
Compound name
2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

267.9735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 152.2
[M+Na]+ 290.962718 164.3
[M-H]- 266.966224 158.4
[M+NH4]+ 286.007323 174.6
[M+K]+ 306.936658 153.0
[M+H-H2O]+ 250.970760 153.1
[M+HCOO]- 312.971701 171.2
[M+CH3COO]- 326.987351 191.2
[M+Na-2H]- 288.948166 156.2
[M]+ 267.97295142 170.9
[M]- 267.97404858 170.9
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