CID 16740546

877319-43-2

Structural Information

Molecular Formula
C13H16FNO3
SMILES
CC(C)(C)OC(=O)NCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C13H16FNO3/c1-13(2,3)18-12(17)15-8-11(16)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,17)
InChIKey
FFNLFZLNAMDWHP-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-fluorophenyl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

253.11142 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11870 156.2
[M+Na]+ 276.10064 162.6
[M-H]- 252.10414 158.6
[M+NH4]+ 271.14524 173.2
[M+K]+ 292.07458 161.2
[M+H-H2O]+ 236.10868 149.2
[M+HCOO]- 298.10962 177.0
[M+CH3COO]- 312.12527 196.5
[M+Na-2H]- 274.08609 159.7
[M]+ 253.11087 157.0
[M]- 253.11197 157.0
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