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

2
Patents

178.07939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.086666 133.7
[M+Na]+ 201.068608 142.8
[M-H]- 177.072114 137.3
[M+NH4]+ 196.113213 155.5
[M+K]+ 217.042548 139.6
[M+H-H2O]+ 161.076650 127.5
[M+HCOO]- 223.077591 154.0
[M+CH3COO]- 237.093241 182.7
[M+Na-2H]- 199.054056 139.6
[M]+ 178.07884142 131.0
[M]- 178.07993858 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