CID 25603804

1-(2-fluorophenyl)-3-(prop-2-yn-1-yl)urea

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C#CCNC(=O)NC1=CC=CC=C1F
InChI
InChI=1S/C10H9FN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h1,3-6H,7H2,(H2,12,13,14)
InChIKey
HVUSDBVZTWWOSY-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-prop-2-ynylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06989 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 142.6
[M+Na]+ 215.059108 151.3
[M-H]- 191.062614 143.3
[M+NH4]+ 210.103713 159.2
[M+K]+ 231.033048 147.5
[M+H-H2O]+ 175.067150 129.4
[M+HCOO]- 237.068091 161.2
[M+CH3COO]- 251.083741 194.4
[M+Na-2H]- 213.044556 146.9
[M]+ 192.06934142 134.5
[M]- 192.07043858 134.5
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.