CID 693061

459-05-2

Structural Information

Molecular Formula
C7H7FN2S
SMILES
C1=CC(=CC=C1NC(=S)N)F
InChI
InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
BRWKXKNZRVALNZ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

170.0314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03868 131.3
[M+Na]+ 193.02062 141.2
[M+NH4]+ 188.06522 139.7
[M+K]+ 208.99456 133.7
[M-H]- 169.02412 133.2
[M+Na-2H]- 191.00607 137.2
[M]+ 170.03085 133.4
[M]- 170.03195 133.4
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