CID 15955736

Schembl6816880

Structural Information

Molecular Formula
C20H15ClFN3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)Cl)F
InChI
InChI=1S/C20H15ClFN3OS/c21-13-4-3-5-16(12-13)25-20(27)24-15-10-8-14(9-11-15)23-19(26)17-6-1-2-7-18(17)22/h1-12H,(H,23,26)(H2,24,25,27)
InChIKey
ZRBCZPPODWRKBV-UHFFFAOYSA-N
Compound name
N-[4-[(3-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

399.06085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06813 189.6
[M+Na]+ 422.05007 196.2
[M-H]- 398.05357 197.7
[M+NH4]+ 417.09467 200.8
[M+K]+ 438.02401 187.8
[M+H-H2O]+ 382.05811 180.3
[M+HCOO]- 444.05905 204.2
[M+CH3COO]- 458.07470 198.6
[M+Na-2H]- 420.03552 191.1
[M]+ 399.06030 189.8
[M]- 399.06140 189.8
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

patents stripe