CID 3086589

Sr 4318

Structural Information

Molecular Formula
C7H3ClN3O3
SMILES
C1=CC2=C(C=C1Cl)[N+](=NC(=O)N2[O-])[O-]
InChI
InChI=1S/C7H3ClN3O3/c8-4-1-2-5-6(3-4)11(14)9-7(12)10(5)13/h1-3H/q-1
InChIKey
OMTWGEDQPDXMAT-UHFFFAOYSA-N
Compound name
7-chloro-1,4-dioxido-1,2,4-benzotriazin-1-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9863 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99358 138.7
[M+Na]+ 234.97552 150.4
[M-H]- 210.97902 137.3
[M+NH4]+ 230.02012 153.6
[M+K]+ 250.94946 142.1
[M+H-H2O]+ 194.98356 138.7
[M+HCOO]- 256.98450 153.8
[M+CH3COO]- 271.00015 172.9
[M+Na-2H]- 232.96097 148.5
[M]+ 211.98575 138.4
[M]- 211.98685 138.4
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.