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

107
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 147.2
[M+Na]+ 262.96781 158.9
[M-H]- 238.97131 153.3
[M+NH4]+ 258.01241 170.6
[M+K]+ 278.94175 147.8
[M+H-H2O]+ 222.97585 148.3
[M+HCOO]- 284.97679 166.3
[M+CH3COO]- 298.99244 186.1
[M+Na-2H]- 260.95326 152.2
[M]+ 239.97804 164.6
[M]- 239.97914 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