CID 13840006

5-bromo-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1CC2=C(C1C(=O)O)C=CC(=C2)Br
InChI
InChI=1S/C10H9BrO2/c11-7-2-4-8-6(5-7)1-3-9(8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)
InChIKey
RHHOBLZUVLGGBU-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

239.97859 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 147.2
[M+Na]+ 262.967808 158.9
[M-H]- 238.971314 153.3
[M+NH4]+ 258.012413 170.6
[M+K]+ 278.941748 147.8
[M+H-H2O]+ 222.975850 148.3
[M+HCOO]- 284.976791 166.3
[M+CH3COO]- 298.992441 186.1
[M+Na-2H]- 260.953256 152.2
[M]+ 239.97804142 164.6
[M]- 239.97913858 164.6
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