CID 14368701

5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C10H8F2O
SMILES
C1CC2=C(C=C(C=C2F)F)C(=O)C1
InChI
InChI=1S/C10H8F2O/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5H,1-3H2
InChIKey
WNXVYUPXXGLTSF-UHFFFAOYSA-N
Compound name
5,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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 132.2
[M+Na]+ 205.043538 141.8
[M-H]- 181.047044 134.5
[M+NH4]+ 200.088143 153.7
[M+K]+ 221.017478 138.3
[M+H-H2O]+ 165.051580 125.1
[M+HCOO]- 227.052521 151.8
[M+CH3COO]- 241.068171 182.5
[M+Na-2H]- 203.028986 137.9
[M]+ 182.05377142 128.0
[M]- 182.05486858 128.0
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