CID 9553195

3-fluorobenzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C14H12FN3S
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C14H12FN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10+
InChIKey
CNALVZBMRXTRBV-MHWRWJLKSA-N
Compound name
1-[(E)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08088 158.4
[M+Na]+ 296.06282 169.5
[M+NH4]+ 291.10742 166.6
[M+K]+ 312.03676 159.7
[M-H]- 272.06632 163.5
[M+Na-2H]- 294.04827 167.6
[M]+ 273.07305 161.7
[M]- 273.07415 161.7
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.