CID 250162

Nsc69178

Structural Information

Molecular Formula
C10H7Cl2N3
SMILES
C1CN1C2=CN=NC3=C2C=C(C=C3Cl)Cl
InChI
InChI=1S/C10H7Cl2N3/c11-6-3-7-9(15-1-2-15)5-13-14-10(7)8(12)4-6/h3-5H,1-2H2
InChIKey
PNMLRFRWMCLWPI-UHFFFAOYSA-N
Compound name
4-(aziridin-1-yl)-6,8-dichlorocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.00171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00899 153.0
[M+Na]+ 261.99093 166.2
[M-H]- 237.99443 156.0
[M+NH4]+ 257.03553 164.3
[M+K]+ 277.96487 159.0
[M+H-H2O]+ 221.99897 144.4
[M+HCOO]- 283.99991 163.7
[M+CH3COO]- 298.01556 164.4
[M+Na-2H]- 259.97638 159.5
[M]+ 239.00116 157.6
[M]- 239.00226 157.6
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.