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

2
Patents

184.04704 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.054316 135.0
[M+Na]+ 207.036258 142.4
[M-H]- 183.039764 137.7
[M+NH4]+ 202.080863 155.0
[M+K]+ 223.010198 138.8
[M+H-H2O]+ 167.044300 128.0
[M+HCOO]- 229.045241 154.5
[M+CH3COO]- 243.060891 184.3
[M+Na-2H]- 205.021706 138.7
[M]+ 184.04649142 132.9
[M]- 184.04758858 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