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

36
Patents

176.07498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 133.7
[M+Na]+ 199.06420 144.1
[M-H]- 175.06770 137.1
[M+NH4]+ 194.10880 153.3
[M+K]+ 215.03814 140.6
[M+H-H2O]+ 159.07224 125.2
[M+HCOO]- 221.07318 156.6
[M+CH3COO]- 235.08883 147.7
[M+Na-2H]- 197.04965 139.4
[M]+ 176.07443 132.9
[M]- 176.07553 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