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]+ 206.047956 141.5
[M+Na]+ 228.029898 151.7
[M-H]- 204.033404 145.3
[M+NH4]+ 223.074503 158.2
[M+K]+ 244.003838 146.0
[M+H-H2O]+ 188.037940 133.6
[M+HCOO]- 250.038881 160.2
[M+CH3COO]- 264.054531 154.4
[M+Na-2H]- 226.015346 149.3
[M]+ 205.04013142 141.3
[M]- 205.04122858 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

No patent data available for this compound.