CID 510242

Schembl7484836

Structural Information

Molecular Formula
C16H11F3N4OS
SMILES
C1=CC(=CC=C1CNC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F)F
InChI
InChI=1S/C16H11F3N4OS/c17-10-3-1-9(2-4-10)8-20-15-22-23-16(25-15)21-14(24)12-6-5-11(18)7-13(12)19/h1-7H,8H2,(H,20,22)(H,21,23,24)
InChIKey
WLERLAAYMFBOGJ-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

364.06058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06786 176.4
[M+Na]+ 387.04980 186.0
[M-H]- 363.05330 180.8
[M+NH4]+ 382.09440 188.1
[M+K]+ 403.02374 178.7
[M+H-H2O]+ 347.05784 164.5
[M+HCOO]- 409.05878 193.0
[M+CH3COO]- 423.07443 186.4
[M+Na-2H]- 385.03525 176.3
[M]+ 364.06003 175.2
[M]- 364.06113 175.2
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