CID 15955731

Schembl6815397

Structural Information

Molecular Formula
C20H14ClF2N3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl)F
InChI
InChI=1S/C20H14ClF2N3OS/c21-16-11-14(9-10-18(16)23)26-20(28)25-13-7-5-12(6-8-13)24-19(27)15-3-1-2-4-17(15)22/h1-11H,(H,24,27)(H2,25,26,28)
InChIKey
HIDIYBKLACEVTD-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-fluorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

417.05142 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.05870 192.3
[M+Na]+ 440.04064 199.7
[M-H]- 416.04414 199.4
[M+NH4]+ 435.08524 202.9
[M+K]+ 456.01458 190.9
[M+H-H2O]+ 400.04868 182.1
[M+HCOO]- 462.04962 205.8
[M+CH3COO]- 476.06527 228.3
[M+Na-2H]- 438.02609 192.5
[M]+ 417.05087 191.9
[M]- 417.05197 191.9
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