CID 2737499

70619-48-6

Structural Information

Molecular Formula
C7H8FN3S
SMILES
C1=CC(=CC(=C1)F)NC(=S)NN
InChI
InChI=1S/C7H8FN3S/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKey
HLLFMTUWRLDCPF-UHFFFAOYSA-N
Compound name
1-amino-3-(3-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

185.0423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04958 134.2
[M+Na]+ 208.03152 141.1
[M-H]- 184.03502 136.2
[M+NH4]+ 203.07612 153.3
[M+K]+ 224.00546 137.2
[M+H-H2O]+ 168.03956 126.8
[M+HCOO]- 230.04050 154.2
[M+CH3COO]- 244.05615 185.7
[M+Na-2H]- 206.01697 137.8
[M]+ 185.04175 129.9
[M]- 185.04285 129.9
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