CID 55264699

4,6-difluoro-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1CC2=C(C1C(=O)O)C=C(C=C2F)F
InChI
InChI=1S/C10H8F2O2/c11-5-3-8-6(9(12)4-5)1-2-7(8)10(13)14/h3-4,7H,1-2H2,(H,13,14)
InChIKey
XMBQPAGXERQWLB-UHFFFAOYSA-N
Compound name
4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04924 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.056516 136.7
[M+Na]+ 221.038458 146.5
[M-H]- 197.041964 138.0
[M+NH4]+ 216.083063 158.6
[M+K]+ 237.012398 143.0
[M+H-H2O]+ 181.046500 130.5
[M+HCOO]- 243.047441 156.2
[M+CH3COO]- 257.063091 182.4
[M+Na-2H]- 219.023906 139.3
[M]+ 198.04869142 133.7
[M]- 198.04978858 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

No patent data available for this compound.