CID 15955735

Schembl6815356

Structural Information

Molecular Formula
C20H13Cl3FN3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C(=C3)Cl)Cl)Cl)F
InChI
InChI=1S/C20H13Cl3FN3OS/c21-15-9-13(10-16(22)18(15)23)27-20(29)26-12-7-5-11(6-8-12)25-19(28)14-3-1-2-4-17(14)24/h1-10H,(H,25,28)(H2,26,27,29)
InChIKey
QVZCYMKBADRNJT-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(3,4,5-trichlorophenyl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

466.98288 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.99016 199.7
[M+Na]+ 489.97210 208.0
[M-H]- 465.97560 206.6
[M+NH4]+ 485.01670 209.6
[M+K]+ 505.94604 198.9
[M+H-H2O]+ 449.98014 192.8
[M+HCOO]- 511.98108 204.2
[M+CH3COO]- 525.99673 207.6
[M+Na-2H]- 487.95755 198.3
[M]+ 466.98233 203.1
[M]- 466.98343 203.1
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