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]+ 193.07717 142.6
[M+Na]+ 215.05911 151.3
[M-H]- 191.06261 143.3
[M+NH4]+ 210.10371 159.2
[M+K]+ 231.03305 147.5
[M+H-H2O]+ 175.06715 129.4
[M+HCOO]- 237.06809 161.2
[M+CH3COO]- 251.08374 194.4
[M+Na-2H]- 213.04456 146.9
[M]+ 192.06934 134.5
[M]- 192.07044 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.