CID 2826107

N-(4-fluorobenzyl)thiourea

Structural Information

Molecular Formula
C8H9FN2S
SMILES
C1=CC(=CC=C1CNC(=S)N)F
InChI
InChI=1S/C8H9FN2S/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKey
UZJXXZZIIAZHAL-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

184.04704 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.054316 135.1
[M+Na]+ 207.036258 142.4
[M-H]- 183.039764 137.2
[M+NH4]+ 202.080863 154.7
[M+K]+ 223.010198 138.5
[M+H-H2O]+ 167.044300 128.1
[M+HCOO]- 229.045241 154.0
[M+CH3COO]- 243.060891 184.3
[M+Na-2H]- 205.021706 137.8
[M]+ 184.04649142 132.1
[M]- 184.04758858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe