CID 575802

214416-39-4

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CC1=C(C(=NN1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
InChIKey
PIYGPVNFVWLQAG-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

207.05632 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 143.9
[M+Na]+ 230.045538 154.5
[M-H]- 206.049044 146.9
[M+NH4]+ 225.090143 162.0
[M+K]+ 246.019478 148.3
[M+H-H2O]+ 190.053580 136.8
[M+HCOO]- 252.054521 162.0
[M+CH3COO]- 266.070171 156.7
[M+Na-2H]- 228.030986 147.7
[M]+ 207.05577142 142.9
[M]- 207.05686858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe