CID 737276

38985-72-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

185.0423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04958 133.9
[M+Na]+ 208.03152 142.5
[M+NH4]+ 203.07612 141.8
[M+K]+ 224.00546 135.6
[M-H]- 184.03502 136.0
[M+Na-2H]- 206.01697 139.7
[M]+ 185.04175 135.8
[M]- 185.04285 135.8
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