CID 11820960

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

Structural Information

Molecular Formula
C11H12FN3OS
SMILES
C=CCS/C(=N/NC(=O)C1=CC=C(C=C1)F)/N
InChI
InChI=1S/C11H12FN3OS/c1-2-7-17-11(13)15-14-10(16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H2,13,15)(H,14,16)
InChIKey
JMQNJPLALZJENM-UHFFFAOYSA-N
Compound name
prop-2-enyl N'-[(4-fluorobenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.06851 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07579 154.8
[M+Na]+ 276.05773 160.5
[M-H]- 252.06123 157.6
[M+NH4]+ 271.10233 171.6
[M+K]+ 292.03167 156.5
[M+H-H2O]+ 236.06577 146.3
[M+HCOO]- 298.06671 174.6
[M+CH3COO]- 312.08236 200.9
[M+Na-2H]- 274.04318 155.8
[M]+ 253.06796 153.1
[M]- 253.06906 153.1
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.