CID 31983

23554-61-2

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]+ 276.10304 160.5
[M+Na]+ 298.08498 166.8
[M-H]- 274.08848 164.7
[M+NH4]+ 293.12958 177.6
[M+K]+ 314.05892 165.1
[M+H-H2O]+ 258.09302 152.1
[M+HCOO]- 320.09396 182.4
[M+CH3COO]- 334.10961 203.8
[M+Na-2H]- 296.07043 164.6
[M]+ 275.09521 162.5
[M]- 275.09631 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.