CID 121552364

Methyl 2-(5-fluoronaphthalen-1-yl)acetate

Structural Information

Molecular Formula
C13H11FO2
SMILES
COC(=O)CC1=C2C=CC=C(C2=CC=C1)F
InChI
InChI=1S/C13H11FO2/c1-16-13(15)8-9-4-2-6-11-10(9)5-3-7-12(11)14/h2-7H,8H2,1H3
InChIKey
BEPVHJGPSFCLMW-UHFFFAOYSA-N
Compound name
methyl 2-(5-fluoronaphthalen-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07431 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08159 144.4
[M+Na]+ 241.06353 153.5
[M-H]- 217.06703 148.0
[M+NH4]+ 236.10813 164.3
[M+K]+ 257.03747 150.4
[M+H-H2O]+ 201.07157 137.4
[M+HCOO]- 263.07251 166.2
[M+CH3COO]- 277.08816 189.2
[M+Na-2H]- 239.04898 150.6
[M]+ 218.07376 145.7
[M]- 218.07486 145.7
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

No patent data available for this compound.