CID 165664754

2408965-64-8

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC(=C(C=C1N)Cl)C2=CNN=C2
InChI
InChI=1S/C9H8ClN3/c10-9-3-7(11)1-2-8(9)6-4-12-13-5-6/h1-5H,11H2,(H,12,13)
InChIKey
OFXVJLUPDYKGAW-UHFFFAOYSA-N
Compound name
3-chloro-4-(1H-pyrazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.4
[M+Na]+ 216.02990 152.3
[M+NH4]+ 211.07450 147.1
[M+K]+ 232.00384 147.0
[M-H]- 192.03340 141.6
[M+Na-2H]- 214.01535 146.8
[M]+ 193.04013 141.4
[M]- 193.04123 141.4
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

No patent data available for this compound.