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]+ 194.047956 138.9
[M+Na]+ 216.029898 149.0
[M-H]- 192.033404 141.7
[M+NH4]+ 211.074503 157.3
[M+K]+ 232.003838 143.0
[M+H-H2O]+ 176.037940 131.7
[M+HCOO]- 238.038881 157.3
[M+CH3COO]- 252.054531 151.8
[M+Na-2H]- 214.015346 144.0
[M]+ 193.04013142 137.2
[M]- 193.04122858 137.2
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.