CID 31983

Brn 2148189

Structural Information

Molecular Formula
C15H14FNO3
SMILES
COC(=O)CN(C1=CC=CC2=CC=CC=C21)C(=O)CF
InChI
InChI=1S/C15H14FNO3/c1-20-15(19)10-17(14(18)9-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChIKey
SSUIANFQGFPVKT-UHFFFAOYSA-N
Compound name
methyl 2-[(2-fluoroacetyl)-naphthalen-1-ylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09576 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.103036 160.5
[M+Na]+ 298.084978 166.8
[M-H]- 274.088484 164.7
[M+NH4]+ 293.129583 177.6
[M+K]+ 314.058918 165.1
[M+H-H2O]+ 258.093020 152.1
[M+HCOO]- 320.093961 182.4
[M+CH3COO]- 334.109611 203.8
[M+Na-2H]- 296.070426 164.6
[M]+ 275.09521142 162.5
[M]- 275.09630858 162.5
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.