CID 53443378

1-(4-fluorophenyl)-3-methyl-1h-pyrazole

Structural Information

Molecular Formula
C10H9FN2
SMILES
CC1=NN(C=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FN2/c1-8-6-7-13(12-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKey
SIWQJXVMSFEFCO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

176.07498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.082256 133.7
[M+Na]+ 199.064198 144.1
[M-H]- 175.067704 137.1
[M+NH4]+ 194.108803 153.3
[M+K]+ 215.038138 140.6
[M+H-H2O]+ 159.072240 125.2
[M+HCOO]- 221.073181 156.6
[M+CH3COO]- 235.088831 147.7
[M+Na-2H]- 197.049646 139.4
[M]+ 176.07443142 132.9
[M]- 176.07552858 132.9
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