CID 83854974

1545673-43-5

Structural Information

Molecular Formula
C10H8F2O
SMILES
C1CC(C2=CC=CC=C2C1=O)(F)F
InChI
InChI=1S/C10H8F2O/c11-10(12)6-5-9(13)7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey
OVELXNJTHQQMPS-UHFFFAOYSA-N
Compound name
4,4-difluoro-2,3-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 142.6
[M-H]- 181.04704 135.3
[M+NH4]+ 200.08814 156.1
[M+K]+ 221.01748 139.3
[M+H-H2O]+ 165.05158 126.1
[M+HCOO]- 227.05252 152.5
[M+CH3COO]- 241.06817 180.8
[M+Na-2H]- 203.02899 140.3
[M]+ 182.05377 128.6
[M]- 182.05487 128.6
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