CID 130114685

4-(2-chloropyrimidin-5-yl)aniline

Structural Information

Molecular Formula
C10H8ClN3
SMILES
C1=CC(=CC=C1C2=CN=C(N=C2)Cl)N
InChI
InChI=1S/C10H8ClN3/c11-10-13-5-8(6-14-10)7-1-3-9(12)4-2-7/h1-6H,12H2
InChIKey
FPAKUPXKPCUNKK-UHFFFAOYSA-N
Compound name
4-(2-chloropyrimidin-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04796 141.3
[M+Na]+ 228.02990 157.7
[M+NH4]+ 223.07450 150.6
[M+K]+ 244.00384 149.5
[M-H]- 204.03340 146.1
[M+Na-2H]- 226.01535 152.1
[M]+ 205.04013 145.4
[M]- 205.04123 145.4
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.