CID 19576679

1820614-50-3

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃

SMILES

C1=CC(=CC=C1CN)N2C=C(C=N2)Cl

InChI

InChI=1S/C10H10ClN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h1-4,6-7H,5,12H2

InChIKey

RRPBVAZFGFIHSP-UHFFFAOYSA-N

Compound name

[4-(4-chloropyrazol-1-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.05632 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.063596	143.2
[M+Na]+	230.045538	153.3
[M-H]-	206.049044	147.1
[M+NH4]+	225.090143	161.7
[M+K]+	246.019478	147.9
[M+H-H2O]+	190.053580	135.4
[M+HCOO]-	252.054521	162.8
[M+CH3COO]-	266.070171	156.4
[M+Na-2H]-	228.030986	148.2
[M]+	207.05577142	143.7
[M]-	207.05686858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe