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

103
Patents

239.97859 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 145.8
[M+Na]+ 262.96781 147.9
[M+NH4]+ 258.01241 150.9
[M+K]+ 278.94175 149.6
[M-H]- 238.97131 145.7
[M+Na-2H]- 260.95326 147.1
[M]+ 239.97804 144.7
[M]- 239.97914 144.7
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