CID 510236

Schembl7481336

Structural Information

Molecular Formula
C16H10Cl2F2N4OS
SMILES
C1=CC(=C(C=C1CNC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F)Cl)Cl
InChI
InChI=1S/C16H10Cl2F2N4OS/c17-11-4-1-8(5-12(11)18)7-21-15-23-24-16(26-15)22-14(25)10-3-2-9(19)6-13(10)20/h1-6H,7H2,(H,21,23)(H,22,24,25)
InChIKey
KVUGZUPVGALTJB-UHFFFAOYSA-N
Compound name
N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

413.99203 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99931 186.1
[M+Na]+ 436.98125 197.1
[M-H]- 412.98475 191.2
[M+NH4]+ 432.02585 197.4
[M+K]+ 452.95519 188.3
[M+H-H2O]+ 396.98929 176.4
[M+HCOO]- 458.99023 194.0
[M+CH3COO]- 473.00588 195.7
[M+Na-2H]- 434.96670 184.7
[M]+ 413.99148 189.8
[M]- 413.99258 189.8
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