CID 12318484

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

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1CC2=C(C1C(=O)O)C=C(C=C2)Br
InChI
InChI=1S/C10H9BrO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChIKey
RMVRCSOJMLGDAG-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

literature stripe

Patent stripe

patents stripe