CID 13110619

2-(5-bromo-2,3-dihydro-1h-inden-1-yl)acetic acid

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC2=C(C1CC(=O)O)C=CC(=C2)Br
InChI
InChI=1S/C11H11BrO2/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-5,8H,1-2,6H2,(H,13,14)
InChIKey
XDQCSIOWFPCZRJ-UHFFFAOYSA-N
Compound name
2-(5-bromo-2,3-dihydro-1H-inden-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 150.3
[M+Na]+ 276.98347 152.3
[M+NH4]+ 272.02807 155.3
[M+K]+ 292.95741 153.8
[M-H]- 252.98697 150.2
[M+Na-2H]- 274.96892 151.4
[M]+ 253.99370 149.2
[M]- 253.99480 149.2
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

No patent data available for this compound.