CID 43380854

(3-fluoro-4-methoxyphenyl)thiourea

Structural Information

Molecular Formula
C8H9FN2OS
SMILES
COC1=C(C=C(C=C1)NC(=S)N)F
InChI
InChI=1S/C8H9FN2OS/c1-12-7-3-2-5(4-6(7)9)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
InChIKey
HZFJWZZVBHYNSN-UHFFFAOYSA-N
Compound name
(3-fluoro-4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04196 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04924 138.5
[M+Na]+ 223.03118 146.6
[M-H]- 199.03468 140.9
[M+NH4]+ 218.07578 157.7
[M+K]+ 239.00512 143.1
[M+H-H2O]+ 183.03922 131.4
[M+HCOO]- 245.04016 157.6
[M+CH3COO]- 259.05581 187.5
[M+Na-2H]- 221.01663 140.5
[M]+ 200.04141 137.3
[M]- 200.04251 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.