CID 1994376

586998-81-4

Structural Information

Molecular Formula
C15H10Cl2F2N4S
SMILES
C1=CC(=C(C(=C1)F)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C15H10Cl2F2N4S/c16-8-4-5-9(11(17)6-8)14-21-22-15(23(14)20)24-7-10-12(18)2-1-3-13(10)19/h1-6H,7,20H2
InChIKey
ZJGXKFXOFZQHOI-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.99713 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.00441 179.9
[M+Na]+ 408.98635 193.3
[M-H]- 384.98985 183.5
[M+NH4]+ 404.03095 191.6
[M+K]+ 424.96029 183.7
[M+H-H2O]+ 368.99439 169.8
[M+HCOO]- 430.99533 185.6
[M+CH3COO]- 445.01098 190.0
[M+Na-2H]- 406.97180 177.1
[M]+ 385.99658 183.4
[M]- 385.99768 183.4
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

No patent data available for this compound.