CID 15955728

Schembl6811784

Structural Information

Molecular Formula
C20H14Cl2FN3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C20H14Cl2FN3OS/c21-16-10-9-14(11-17(16)22)26-20(28)25-13-7-5-12(6-8-13)24-19(27)15-3-1-2-4-18(15)23/h1-11H,(H,24,27)(H2,25,26,28)
InChIKey
MOIFSRNUISXCSV-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dichlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

433.02188 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.02916 195.1
[M+Na]+ 456.01110 202.8
[M-H]- 432.01460 203.0
[M+NH4]+ 451.05570 205.8
[M+K]+ 471.98504 193.7
[M+H-H2O]+ 416.01914 187.0
[M+HCOO]- 478.02008 204.8
[M+CH3COO]- 492.03573 203.8
[M+Na-2H]- 453.99655 195.3
[M]+ 433.02133 197.4
[M]- 433.02243 197.4
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