CID 4102910

1-ethyl-3-(2-fluorophenyl)-2-thiourea

Structural Information

Molecular Formula
C9H11FN2S
SMILES
CCNC(=S)NC1=CC=CC=C1F
InChI
InChI=1S/C9H11FN2S/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKey
HFCRLSLRGLNPDK-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.0627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06998 139.5
[M+Na]+ 221.05192 146.4
[M-H]- 197.05542 141.9
[M+NH4]+ 216.09652 158.9
[M+K]+ 237.02586 142.6
[M+H-H2O]+ 181.05996 132.2
[M+HCOO]- 243.06090 158.7
[M+CH3COO]- 257.07655 187.3
[M+Na-2H]- 219.03737 142.7
[M]+ 198.06215 137.7
[M]- 198.06325 137.7
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