CID 84718625

1,1-difluoro-2,3-dihydro-1h-indene-4-carbaldehyde

Structural Information

Molecular Formula
C10H8F2O
SMILES
C1CC(C2=CC=CC(=C21)C=O)(F)F
InChI
InChI=1S/C10H8F2O/c11-10(12)5-4-8-7(6-13)2-1-3-9(8)10/h1-3,6H,4-5H2
InChIKey
ZAOFWNBDUMPIMR-UHFFFAOYSA-N
Compound name
1,1-difluoro-2,3-dihydroindene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.05432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.061596 132.9
[M+Na]+ 205.043538 143.6
[M-H]- 181.047044 135.6
[M+NH4]+ 200.088143 158.1
[M+K]+ 221.017478 140.0
[M+H-H2O]+ 165.051580 126.8
[M+HCOO]- 227.052521 154.8
[M+CH3COO]- 241.068171 180.5
[M+Na-2H]- 203.028986 138.9
[M]+ 182.05377142 130.8
[M]- 182.05486858 130.8
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