CID 11820948

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

Structural Information

Molecular Formula
C11H12ClN3OS
SMILES
C=CCS/C(=N/NC(=O)C1=CC=C(C=C1)Cl)/N
InChI
InChI=1S/C11H12ClN3OS/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
FRJUSVJCYHUKBZ-UHFFFAOYSA-N
Compound name
prop-2-enyl N'-[(4-chlorobenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.03897 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04625 159.7
[M+Na]+ 292.02819 166.1
[M-H]- 268.03169 164.0
[M+NH4]+ 287.07279 176.9
[M+K]+ 308.00213 160.7
[M+H-H2O]+ 252.03623 153.4
[M+HCOO]- 314.03717 176.2
[M+CH3COO]- 328.05282 201.9
[M+Na-2H]- 290.01364 160.8
[M]+ 269.03842 161.2
[M]- 269.03952 161.2
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.