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
2
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]+ 209.054316 140.3
[M+Na]+ 231.036258 151.1
[M-H]- 207.039764 142.8
[M+NH4]+ 226.080863 158.8
[M+K]+ 247.010198 145.9
[M+H-H2O]+ 191.044300 132.7
[M+HCOO]- 253.045241 156.8
[M+CH3COO]- 267.060891 153.3
[M+Na-2H]- 229.021706 142.2
[M]+ 208.04649142 140.3
[M]- 208.04758858 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

literature stripe

Patent stripe

patents stripe