CID 465337

2,2'-dithiobis[n-(4-fluorophenyl)benzamide]

Structural Information

Molecular Formula
C26H18F2N2O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C26H18F2N2O2S2/c27-17-9-13-19(14-10-17)29-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-20-15-11-18(28)12-16-20/h1-16H,(H,29,31)(H,30,32)
InChIKey
IKMRCFVBFCYPNY-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

492.0778 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.08508 210.7
[M+Na]+ 515.06702 216.5
[M-H]- 491.07052 219.2
[M+NH4]+ 510.11162 217.0
[M+K]+ 531.04096 206.9
[M+H-H2O]+ 475.07506 198.4
[M+HCOO]- 537.07600 221.6
[M+CH3COO]- 551.09165 217.3
[M+Na-2H]- 513.05247 210.1
[M]+ 492.07725 210.0
[M]- 492.07835 210.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe