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

65
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 132.2
[M+Na]+ 205.04354 141.8
[M-H]- 181.04704 134.5
[M+NH4]+ 200.08814 153.7
[M+K]+ 221.01748 138.3
[M+H-H2O]+ 165.05158 125.1
[M+HCOO]- 227.05252 151.8
[M+CH3COO]- 241.06817 182.5
[M+Na-2H]- 203.02899 137.9
[M]+ 182.05377 128.0
[M]- 182.05487 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