CID 11146906

130755-46-3

Structural Information

Molecular Formula
C22H8Cl4F6N8S2
SMILES
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SSC3=C(N(N=C3C#N)C4=C(C=C(C=C4Cl)C(F)(F)F)Cl)N)N)Cl)C(F)(F)F
InChI
InChI=1S/C22H8Cl4F6N8S2/c23-9-1-7(21(27,28)29)2-10(24)15(9)39-19(35)17(13(5-33)37-39)41-42-18-14(6-34)38-40(20(18)36)16-11(25)3-8(4-12(16)26)22(30,31)32/h1-4H,35-36H2
InChIKey
KYWRZLCFDFEWBI-UHFFFAOYSA-N
Compound name
5-amino-4-[[5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]disulfanyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

701.89716 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.90444 204.9
[M+Na]+ 724.88638 210.1
[M+NH4]+ 719.93098 202.7
[M+K]+ 740.86032 202.8
[M-H]- 700.88988 195.6
[M+Na-2H]- 722.87183 202.9
[M]+ 701.89661 202.9
[M]- 701.89771 202.9
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