CID 15955730

Schembl6815613

Structural Information

Molecular Formula
C20H14ClFIN3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)I)Cl)F
InChI
InChI=1S/C20H14ClFIN3OS/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
SGHJQAMRGOJWSI-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-iodophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

524.9575 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.96478 207.8
[M+Na]+ 547.94672 207.6
[M-H]- 523.95022 208.4
[M+NH4]+ 542.99132 213.7
[M+K]+ 563.92066 205.2
[M+H-H2O]+ 507.95476 194.6
[M+HCOO]- 569.95570 217.0
[M+CH3COO]- 583.97135 234.0
[M+Na-2H]- 545.93217 196.2
[M]+ 524.95695 205.3
[M]- 524.95805 205.3
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