CID 84668020

1780946-75-9

Structural Information

Molecular Formula
C10H8F2O2
SMILES
C1CC(C2=C1C=CC=C2C(=O)O)(F)F
InChI
InChI=1S/C10H8F2O2/c11-10(12)5-4-6-2-1-3-7(8(6)10)9(13)14/h1-3H,4-5H2,(H,13,14)
InChIKey
ALPWUFGZUZFAQZ-UHFFFAOYSA-N
Compound name
3,3-difluoro-1,2-dihydroindene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05652 137.2
[M+Na]+ 221.03846 147.1
[M-H]- 197.04196 138.5
[M+NH4]+ 216.08306 160.9
[M+K]+ 237.01240 143.6
[M+H-H2O]+ 181.04650 131.4
[M+HCOO]- 243.04744 156.7
[M+CH3COO]- 257.06309 180.7
[M+Na-2H]- 219.02391 141.6
[M]+ 198.04869 134.1
[M]- 198.04979 134.1
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.