CID 165604609

2306173-64-6

Structural Information

Molecular Formula
C4H4F2N2S
SMILES
C1=C(C=NN1)SC(F)F
InChI
InChI=1S/C4H4F2N2S/c5-4(6)9-3-1-7-8-2-3/h1-2,4H,(H,7,8)
InChIKey
LOEDWUPFMVULIZ-UHFFFAOYSA-N
Compound name
4-(difluoromethylsulfanyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.00633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01361 122.4
[M+Na]+ 172.99555 131.9
[M-H]- 148.99905 120.0
[M+NH4]+ 168.04015 142.7
[M+K]+ 188.96949 129.4
[M+H-H2O]+ 133.00359 114.6
[M+HCOO]- 195.00453 137.0
[M+CH3COO]- 209.02018 169.4
[M+Na-2H]- 170.98100 124.4
[M]+ 150.00578 119.9
[M]- 150.00688 119.9
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

No patent data available for this compound.