CID 381903

2,4-diazido-3-chloro-quinoline

Structural Information

Molecular Formula
C9H4ClN7
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)N=[N+]=[N-])Cl)N=[N+]=[N-]
InChI
InChI=1S/C9H4ClN7/c10-7-8(14-16-11)5-3-1-2-4-6(5)13-9(7)15-17-12/h1-4H
InChIKey
CWMGIBFIUQOSPK-UHFFFAOYSA-N
Compound name
2,4-diazido-3-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02167 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.02895 150.9
[M+Na]+ 268.01089 158.5
[M-H]- 244.01439 158.4
[M+NH4]+ 263.05549 167.8
[M+K]+ 283.98483 146.1
[M+H-H2O]+ 228.01893 151.3
[M+HCOO]- 290.01987 180.9
[M+CH3COO]- 304.03552 199.7
[M+Na-2H]- 265.99634 165.8
[M]+ 245.02112 148.9
[M]- 245.02222 148.9
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.