CID 84729841

1779792-47-0

Structural Information

Molecular Formula
C14H18FNO3
SMILES
CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)F)C=O
InChI
InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-5-4-6-11(15)7-10/h4-7,9,12H,8H2,1-3H3,(H,16,18)
InChIKey
WWDPNRVZPFBTGU-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-fluorophenyl)-3-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

267.12708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13436 161.0
[M+Na]+ 290.11630 166.9
[M-H]- 266.11980 163.1
[M+NH4]+ 285.16090 177.3
[M+K]+ 306.09024 165.2
[M+H-H2O]+ 250.12434 153.7
[M+HCOO]- 312.12528 181.4
[M+CH3COO]- 326.14093 199.5
[M+Na-2H]- 288.10175 163.9
[M]+ 267.12653 162.1
[M]- 267.12763 162.1
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