CID 606094

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

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1=CC(=NN1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
UEOSSIMPKPNOEJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

192.04543 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 139.0
[M+Na]+ 215.03465 154.4
[M+NH4]+ 210.07925 148.3
[M+K]+ 231.00859 148.1
[M-H]- 191.03815 142.2
[M+Na-2H]- 213.02010 148.0
[M]+ 192.04488 142.4
[M]- 192.04598 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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