CID 56956060

20650-07-1

Structural Information

Molecular Formula
C13H14FNO3
SMILES
CCOC(=O)C1(CC1)C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H14FNO3/c1-2-18-12(17)13(7-8-13)11(16)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKey
FJMLTTAPGNFDSI-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

251.09576 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10304 152.1
[M+Na]+ 274.08498 160.5
[M-H]- 250.08848 158.4
[M+NH4]+ 269.12958 165.9
[M+K]+ 290.05892 158.1
[M+H-H2O]+ 234.09302 145.2
[M+HCOO]- 296.09396 174.5
[M+CH3COO]- 310.10961 197.5
[M+Na-2H]- 272.07043 156.6
[M]+ 251.09521 155.1
[M]- 251.09631 155.1
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