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]+ 200.065226 138.5
[M+Na]+ 222.047168 145.0
[M-H]- 198.050674 140.4
[M+NH4]+ 217.091773 157.1
[M+K]+ 238.021108 140.9
[M+H-H2O]+ 182.055210 130.9
[M+HCOO]- 244.056151 158.3
[M+CH3COO]- 258.071801 188.7
[M+Na-2H]- 220.032616 141.7
[M]+ 199.05740142 134.6
[M]- 199.05849858 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.