CID 484703

3-nitropyrazolo[5,1-c][1,2,4]benzotriazine

Structural Information

Molecular Formula
C9H5N5O2
SMILES
C1=CC=C2C(=C1)N=NC3=C(C=NN23)[N+](=O)[O-]
InChI
InChI=1S/C9H5N5O2/c15-14(16)8-5-10-13-7-4-2-1-3-6(7)11-12-9(8)13/h1-5H
InChIKey
ZUVMYJWVIHDRPN-UHFFFAOYSA-N
Compound name
3-nitropyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.04433 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05161 139.7
[M+Na]+ 238.03355 150.7
[M-H]- 214.03705 141.3
[M+NH4]+ 233.07815 155.9
[M+K]+ 254.00749 142.9
[M+H-H2O]+ 198.04159 135.3
[M+HCOO]- 260.04253 161.8
[M+CH3COO]- 274.05818 181.3
[M+Na-2H]- 236.01900 152.9
[M]+ 215.04378 140.6
[M]- 215.04488 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.