CID 1252092

2-(3-fluorobenzoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C14H12FN3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C14H12FN3OS/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h1-9H,(H,17,19)(H2,16,18,20)
InChIKey
AVULBZKDTJZIGX-UHFFFAOYSA-N
Compound name
1-[(3-fluorobenzoyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0685 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.075776 162.2
[M+Na]+ 312.057718 167.7
[M-H]- 288.061224 167.4
[M+NH4]+ 307.102323 177.0
[M+K]+ 328.031658 162.3
[M+H-H2O]+ 272.065760 153.2
[M+HCOO]- 334.066701 181.8
[M+CH3COO]- 348.082351 204.0
[M+Na-2H]- 310.043166 165.5
[M]+ 289.06795142 159.2
[M]- 289.06904858 159.2
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.