CID 2733077

3-amino-1-[(4-fluorophenyl)methyl]thiourea

Structural Information

Molecular Formula
C8H10FN3S
SMILES
C1=CC(=CC=C1CNC(=S)NN)F
InChI
InChI=1S/C8H10FN3S/c9-7-3-1-6(2-4-7)5-11-8(13)12-10/h1-4H,5,10H2,(H2,11,12,13)
InChIKey
MJSVKHSJGSNMFQ-UHFFFAOYSA-N
Compound name
1-amino-3-[(4-fluorophenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

199.05795 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06523 138.5
[M+Na]+ 222.04717 145.0
[M-H]- 198.05067 140.4
[M+NH4]+ 217.09177 157.1
[M+K]+ 238.02111 140.9
[M+H-H2O]+ 182.05521 130.9
[M+HCOO]- 244.05615 158.3
[M+CH3COO]- 258.07180 188.7
[M+Na-2H]- 220.03262 141.7
[M]+ 199.05740 134.6
[M]- 199.05850 134.6
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

No patent data available for this compound.