CID 139026640

2000011-12-9

Structural Information

Molecular Formula
C13H15F2NO3
SMILES
CC(C)(C)OC(=O)NCC(=O)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C13H15F2NO3/c1-13(2,3)19-12(18)16-7-11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKey
JDXZDQKQKKNEAR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2,4-difluorophenyl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.102 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10928 158.4
[M+Na]+ 294.09122 165.8
[M-H]- 270.09472 159.7
[M+NH4]+ 289.13582 174.8
[M+K]+ 310.06516 163.9
[M+H-H2O]+ 254.09926 150.7
[M+HCOO]- 316.10020 178.1
[M+CH3COO]- 330.11585 200.5
[M+Na-2H]- 292.07667 160.6
[M]+ 271.10145 158.4
[M]- 271.10255 158.4
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