CID 5239335

3-(4-fluorophenyl)-5-methyl-1h-pyrazole

Structural Information

Molecular Formula
C10H9FN2
SMILES
CC1=CC(=NN1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
ZKAGCTBURDRJKH-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
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 134.3
[M+Na]+ 199.06420 144.3
[M-H]- 175.06770 136.4
[M+NH4]+ 194.10880 153.2
[M+K]+ 215.03814 139.9
[M+H-H2O]+ 159.07224 126.1
[M+HCOO]- 221.07318 155.7
[M+CH3COO]- 235.08883 147.6
[M+Na-2H]- 197.04965 139.5
[M]+ 176.07443 131.7
[M]- 176.07553 131.7
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