CID 4913023

4-(4-chloro-1h-pyrazol-1-yl)aniline

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC(=CC=C1N)N2C=C(C=N2)Cl
InChI
InChI=1S/C9H8ClN3/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H,11H2
InChIKey
LNOMRSBPRLSTOU-UHFFFAOYSA-N
Compound name
4-(4-chloropyrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

193.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 138.0
[M+Na]+ 216.02990 152.4
[M+NH4]+ 211.07450 147.0
[M+K]+ 232.00384 146.8
[M-H]- 192.03340 141.7
[M+Na-2H]- 214.01535 147.0
[M]+ 193.04013 141.3
[M]- 193.04123 141.3
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