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

38
Patents

182.05432 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.061596 132.0
[M+Na]+ 205.043538 143.5
[M-H]- 181.047044 135.0
[M+NH4]+ 200.088143 155.8
[M+K]+ 221.017478 139.9
[M+H-H2O]+ 165.051580 125.9
[M+HCOO]- 227.052521 153.8
[M+CH3COO]- 241.068171 183.3
[M+Na-2H]- 203.028986 135.6
[M]+ 182.05377142 130.4
[M]- 182.05486858 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

patents stripe