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

1
Patents

182.05432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06160 132.9
[M+Na]+ 205.04354 143.6
[M-H]- 181.04704 135.6
[M+NH4]+ 200.08814 158.1
[M+K]+ 221.01748 140.0
[M+H-H2O]+ 165.05158 126.8
[M+HCOO]- 227.05252 154.8
[M+CH3COO]- 241.06817 180.5
[M+Na-2H]- 203.02899 138.9
[M]+ 182.05377 130.8
[M]- 182.05487 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