CID 43531693

1-(2-chlorophenyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC=C(C(=C1)N2C=C(C=N2)N)Cl
InChI
InChI=1S/C9H8ClN3/c10-8-3-1-2-4-9(8)13-6-7(11)5-12-13/h1-6H,11H2
InChIKey
KXMOIUPAAPMSMN-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.047956 138.6
[M+Na]+ 216.029898 149.1
[M-H]- 192.033404 142.7
[M+NH4]+ 211.074503 157.7
[M+K]+ 232.003838 144.0
[M+H-H2O]+ 176.037940 131.1
[M+HCOO]- 238.038881 158.5
[M+CH3COO]- 252.054531 152.2
[M+Na-2H]- 214.015346 144.1
[M]+ 193.04013142 138.7
[M]- 193.04122858 138.7
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