CID 25227089

Chembl484565

Structural Information

Molecular Formula
C16H10BrF2N3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)F)F)Br
InChI
InChI=1S/C16H10BrF2N3OS2/c17-11-3-1-2-4-13(11)20-14(23)8-24-16-15(21-22-25-16)10-6-5-9(18)7-12(10)19/h1-7H,8H2,(H,20,23)
InChIKey
HSKSNCXSEJBELI-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[4-(2,4-difluorophenyl)thiadiazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.94168 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.94896 171.3
[M+Na]+ 463.93090 185.3
[M-H]- 439.93440 179.4
[M+NH4]+ 458.97550 185.3
[M+K]+ 479.90484 169.8
[M+H-H2O]+ 423.93894 168.9
[M+HCOO]- 485.93988 181.5
[M+CH3COO]- 499.95553 183.8
[M+Na-2H]- 461.91635 172.5
[M]+ 440.94113 191.5
[M]- 440.94223 191.5
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

No patent data available for this compound.