CID 2737479

175137-20-9

Structural Information

Molecular Formula
C10H9FN2S
SMILES
CSC1=NNC(=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKey
ZDFTZMJWTJLPRE-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25
Patents

208.04704 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05432 140.3
[M+Na]+ 231.03626 151.1
[M-H]- 207.03976 142.8
[M+NH4]+ 226.08086 158.8
[M+K]+ 247.01020 145.9
[M+H-H2O]+ 191.04430 132.7
[M+HCOO]- 253.04524 156.8
[M+CH3COO]- 267.06089 153.3
[M+Na-2H]- 229.02171 142.2
[M]+ 208.04649 140.3
[M]- 208.04759 140.3
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.