CID 4337894

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

Structural Information

Molecular Formula
C8H9FN2S
SMILES
CNC(=S)NC1=CC(=CC=C1)F
InChI
InChI=1S/C8H9FN2S/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
InChIKey
KBGFPBJKGWAOJR-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.04704 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05432 135.0
[M+Na]+ 207.03626 142.4
[M-H]- 183.03976 137.7
[M+NH4]+ 202.08086 155.0
[M+K]+ 223.01020 138.8
[M+H-H2O]+ 167.04430 128.0
[M+HCOO]- 229.04524 154.5
[M+CH3COO]- 243.06089 184.3
[M+Na-2H]- 205.02171 138.7
[M]+ 184.04649 132.9
[M]- 184.04759 132.9
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