CID 59207552

161712-84-1

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1C(CC2=CC(=C(C=C21)F)F)C(=O)O
InChI
InChI=1S/C10H8F2O2/c11-8-3-5-1-7(10(13)14)2-6(5)4-9(8)12/h3-4,7H,1-2H2,(H,13,14)
InChIKey
RMTMLFPARWFPQS-UHFFFAOYSA-N
Compound name
5,6-difluoro-2,3-dihydro-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

198.04924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 136.7
[M+Na]+ 221.03846 146.5
[M-H]- 197.04196 138.0
[M+NH4]+ 216.08306 158.6
[M+K]+ 237.01240 143.0
[M+H-H2O]+ 181.04650 130.5
[M+HCOO]- 243.04744 156.2
[M+CH3COO]- 257.06309 182.4
[M+Na-2H]- 219.02391 139.3
[M]+ 198.04869 133.7
[M]- 198.04979 133.7
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