CID 2735304

3-(4-chlorophenyl)-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKey
ZSFCXTGPGSAWFT-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

104
Patents

207.05632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 143.5
[M+Na]+ 230.04554 154.5
[M-H]- 206.04904 147.9
[M+NH4]+ 225.09014 162.4
[M+K]+ 246.01948 149.2
[M+H-H2O]+ 190.05358 136.1
[M+HCOO]- 252.05452 163.1
[M+CH3COO]- 266.07017 157.0
[M+Na-2H]- 228.03099 147.8
[M]+ 207.05577 144.4
[M]- 207.05687 144.4
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