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

59
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 134.3
[M+Na]+ 199.064198 144.3
[M-H]- 175.067704 136.4
[M+NH4]+ 194.108803 153.2
[M+K]+ 215.038138 139.9
[M+H-H2O]+ 159.072240 126.1
[M+HCOO]- 221.073181 155.7
[M+CH3COO]- 235.088831 147.6
[M+Na-2H]- 197.049646 139.5
[M]+ 176.07443142 131.7
[M]- 176.07552858 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