CID 3071614

Brn 5447465

Structural Information

Molecular Formula
C12H11FN4O2S
SMILES
C1=CC(=CC=C1OC2=CC(=NC=N2)SCC(=O)NN)F
InChI
InChI=1S/C12H11FN4O2S/c13-8-1-3-9(4-2-8)19-11-5-12(16-7-15-11)20-6-10(18)17-14/h1-5,7H,6,14H2,(H,17,18)
InChIKey
OENZEBSYOMLZSJ-UHFFFAOYSA-N
Compound name
2-[6-(4-fluorophenoxy)pyrimidin-4-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0587 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06598 161.2
[M+Na]+ 317.04792 169.0
[M-H]- 293.05142 163.7
[M+NH4]+ 312.09252 173.4
[M+K]+ 333.02186 163.9
[M+H-H2O]+ 277.05596 151.2
[M+HCOO]- 339.05690 178.4
[M+CH3COO]- 353.07255 202.9
[M+Na-2H]- 315.03337 164.7
[M]+ 294.05815 161.5
[M]- 294.05925 161.5
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.