CID 248739

4-(1-aziridinyl)-6-chlorocinnoline

Structural Information

Molecular Formula
C10H8ClN3
SMILES
C1CN1C2=CN=NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C10H8ClN3/c11-7-1-2-9-8(5-7)10(6-12-13-9)14-3-4-14/h1-2,5-6H,3-4H2
InChIKey
PUTIBBVJQNNKFK-UHFFFAOYSA-N
Compound name
4-(aziridin-1-yl)-6-chlorocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04796 149.8
[M+Na]+ 228.02990 162.3
[M-H]- 204.03340 153.6
[M+NH4]+ 223.07450 161.8
[M+K]+ 244.00384 155.9
[M+H-H2O]+ 188.03794 140.8
[M+HCOO]- 250.03888 165.7
[M+CH3COO]- 264.05453 161.7
[M+Na-2H]- 226.01535 157.8
[M]+ 205.04013 153.2
[M]- 205.04123 153.2
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.