CID 11820959

4-fluoro-benzoic acid (amino-methylsulfanyl-methylene)-hydrazide

Structural Information

Molecular Formula
C9H10FN3OS
SMILES
CS/C(=N/NC(=O)C1=CC=C(C=C1)F)/N
InChI
InChI=1S/C9H10FN3OS/c1-15-9(11)13-12-8(14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,13)(H,12,14)
InChIKey
GTIQRAPGODZWSE-UHFFFAOYSA-N
Compound name
methyl N'-[(4-fluorobenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.05286 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06014 146.8
[M+Na]+ 250.04208 153.2
[M-H]- 226.04558 150.0
[M+NH4]+ 245.08668 164.8
[M+K]+ 266.01602 150.2
[M+H-H2O]+ 210.05012 138.6
[M+HCOO]- 272.05106 167.1
[M+CH3COO]- 286.06671 195.7
[M+Na-2H]- 248.02753 148.8
[M]+ 227.05231 145.1
[M]- 227.05341 145.1
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

No patent data available for this compound.