CID 2782955

280133-47-3

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

50
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 133.9
[M+Na]+ 208.03152 140.7
[M-H]- 184.03502 135.9
[M+NH4]+ 203.07612 152.9
[M+K]+ 224.00546 136.8
[M+H-H2O]+ 168.03956 126.4
[M+HCOO]- 230.04050 153.9
[M+CH3COO]- 244.05615 186.4
[M+Na-2H]- 206.01697 137.5
[M]+ 185.04175 129.7
[M]- 185.04285 129.7
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