CID 204381

16222-53-0

Structural Information

Molecular Formula
C13H14FNO4
SMILES
C#CCOCC(COC1=CC=C(C=C1)F)OC(=O)N
InChI
InChI=1S/C13H14FNO4/c1-2-7-17-8-12(19-13(15)16)9-18-11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2,(H2,15,16)
InChIKey
ARGRHTWNUMAIHE-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0907 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09798 157.9
[M+Na]+ 290.07992 165.8
[M-H]- 266.08342 157.7
[M+NH4]+ 285.12452 171.6
[M+K]+ 306.05386 163.0
[M+H-H2O]+ 250.08796 144.1
[M+HCOO]- 312.08890 174.0
[M+CH3COO]- 326.10455 204.5
[M+Na-2H]- 288.06537 158.7
[M]+ 267.09015 154.0
[M]- 267.09125 154.0
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

No patent data available for this compound.