CID 15955743

Schembl6819708

Structural Information

Molecular Formula
C20H15F2N3OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)F)F
InChI
InChI=1S/C20H15F2N3OS/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
XAZVWWUMJFKGHO-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

383.0904 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09768 185.8
[M+Na]+ 406.07962 191.7
[M-H]- 382.08312 192.6
[M+NH4]+ 401.12422 196.6
[M+K]+ 422.05356 184.2
[M+H-H2O]+ 366.08766 174.5
[M+HCOO]- 428.08860 203.7
[M+CH3COO]- 442.10425 223.6
[M+Na-2H]- 404.06507 187.1
[M]+ 383.08985 182.4
[M]- 383.09095 182.4
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