CID 242835

7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C11H11FO
SMILES
CC1CCC2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C11H11FO/c1-7-2-3-8-4-5-9(12)6-10(8)11(7)13/h4-7H,2-3H2,1H3
InChIKey
BLVCCKNVRDAYLW-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 133.7
[M+Na]+ 201.06861 142.8
[M-H]- 177.07211 137.3
[M+NH4]+ 196.11321 155.5
[M+K]+ 217.04255 139.6
[M+H-H2O]+ 161.07665 127.5
[M+HCOO]- 223.07759 154.0
[M+CH3COO]- 237.09324 182.7
[M+Na-2H]- 199.05406 139.6
[M]+ 178.07884 131.0
[M]- 178.07994 131.0
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