CID 388426

Nsc683334

Structural Information

Molecular Formula
C10H4ClN5O
SMILES
C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C#N)N=[N+]2[O-]
InChI
InChI=1S/C10H4ClN5O/c11-7-1-2-8-9(3-7)15-10(14-16(8)17)6(4-12)5-13-15/h1-3,5H
InChIKey
AQUXOTGLIDBSPY-UHFFFAOYSA-N
Compound name
8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.01044 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01772 152.9
[M+Na]+ 267.99966 167.0
[M-H]- 244.00316 150.8
[M+NH4]+ 263.04426 166.4
[M+K]+ 283.97360 155.1
[M+H-H2O]+ 228.00770 141.6
[M+HCOO]- 290.00864 164.2
[M+CH3COO]- 304.02429 194.3
[M+Na-2H]- 265.98511 161.3
[M]+ 245.00989 149.3
[M]- 245.01099 149.3
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.