CID 132932

Difpas-pyrazole

Structural Information

Molecular Formula
C18H16F2N2O2S
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)F)C3=CC=C(C=C3)S(=O)C
InChI
InChI=1S/C18H16F2N2O2S/c1-24-14-7-5-13(6-8-14)22-17(11-16(21-22)18(19)20)12-3-9-15(10-4-12)25(2)23/h3-11,18H,1-2H3
InChIKey
JJAPPCJXQFKMJL-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfinylphenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

20
Patents

362.09006 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09734 182.9
[M+Na]+ 385.07928 195.2
[M+NH4]+ 380.12388 188.8
[M+K]+ 401.05322 188.5
[M-H]- 361.08278 184.5
[M+Na-2H]- 383.06473 189.5
[M]+ 362.08951 185.4
[M]- 362.09061 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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