CID 2782955

2-(4-fluorophenyl)-1-hydrazinecarbothioamide

Structural Information

Molecular Formula
C7H8FN3S
SMILES
C1=CC(=CC=C1NNC(=S)N)F
InChI
InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKey
KQNHAXWTVPXGMP-UHFFFAOYSA-N
Compound name
(4-fluoroanilino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

185.0423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04958 133.8
[M+Na]+ 208.03152 142.3
[M+NH4]+ 203.07612 141.6
[M+K]+ 224.00546 135.4
[M-H]- 184.03502 135.8
[M+Na-2H]- 206.01697 139.5
[M]+ 185.04175 135.6
[M]- 185.04285 135.6
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

patents stripe