CID 22457008

4,6-difluoro-2-methyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C10H8F2O
SMILES
CC1CC2=C(C1=O)C=C(C=C2F)F
InChI
InChI=1S/C10H8F2O/c1-5-2-7-8(10(5)13)3-6(11)4-9(7)12/h3-5H,2H2,1H3
InChIKey
VHFPRJDKCGMOCA-UHFFFAOYSA-N
Compound name
4,6-difluoro-2-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

182.05432 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06160 132.0
[M+Na]+ 205.04354 143.5
[M-H]- 181.04704 135.0
[M+NH4]+ 200.08814 155.8
[M+K]+ 221.01748 139.9
[M+H-H2O]+ 165.05158 125.9
[M+HCOO]- 227.05252 153.8
[M+CH3COO]- 241.06817 183.3
[M+Na-2H]- 203.02899 135.6
[M]+ 182.05377 130.4
[M]- 182.05487 130.4
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.