CID 130058170

3-chloro-5-(pyrimidin-2-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04796 141.5
[M+Na]+ 228.02990 151.7
[M-H]- 204.03340 145.3
[M+NH4]+ 223.07450 158.2
[M+K]+ 244.00384 146.0
[M+H-H2O]+ 188.03794 133.6
[M+HCOO]- 250.03888 160.2
[M+CH3COO]- 264.05453 154.4
[M+Na-2H]- 226.01535 149.3
[M]+ 205.04013 141.3
[M]- 205.04123 141.3
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

patents stripe