CID 215643

Brn 0427544

Structural Information

Molecular Formula
C9H11Cl2N4OP
SMILES
C1CN1P(=O)(NC2=C(C=NC=C2Cl)Cl)N3CC3
InChI
InChI=1S/C9H11Cl2N4OP/c10-7-5-12-6-8(11)9(7)13-17(16,14-1-2-14)15-3-4-15/h5-6H,1-4H2,(H,12,13,16)
InChIKey
WWSVOTKXSOIAKA-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-3,5-dichloropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.00476 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01204 173.6
[M+Na]+ 314.99398 181.7
[M-H]- 290.99748 177.1
[M+NH4]+ 310.03858 176.0
[M+K]+ 330.96792 176.2
[M+H-H2O]+ 275.00202 164.0
[M+HCOO]- 337.00296 187.6
[M+CH3COO]- 351.01861 209.8
[M+Na-2H]- 312.97943 173.7
[M]+ 292.00421 178.3
[M]- 292.00531 178.3
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.