CID 19626962

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

Structural Information

Molecular Formula
C9H7Cl2N3
SMILES
C1=CC(=C(C=C1N)Cl)N2C=C(C=N2)Cl
InChI
InChI=1S/C9H7Cl2N3/c10-6-4-13-14(5-6)9-2-1-7(12)3-8(9)11/h1-5H,12H2
InChIKey
ONHREOFASQAVIM-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-chloropyrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00171 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.008986 145.9
[M+Na]+ 249.990928 157.5
[M-H]- 225.994434 149.4
[M+NH4]+ 245.035533 164.2
[M+K]+ 265.964868 151.2
[M+H-H2O]+ 209.998970 138.9
[M+HCOO]- 271.999911 160.4
[M+CH3COO]- 286.015561 158.8
[M+Na-2H]- 247.976376 149.7
[M]+ 227.00116142 147.3
[M]- 227.00225858 147.3
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

No patent data available for this compound.