CID 52744

Nsc 81313

Structural Information

Molecular Formula
C13H7N2O2
SMILES
C1=CC=C2C(=C1)C3=C(C=CC=C3OC2=O)[N+]#N
InChI
InChI=1S/C13H7N2O2/c14-15-10-6-3-7-11-12(10)8-4-1-2-5-9(8)13(16)17-11/h1-7H/q+1
InChIKey
SRUWGBFNXIKQRU-UHFFFAOYSA-N
Compound name
6-oxobenzo[c]chromene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05803 153.0
[M+Na]+ 246.03997 167.1
[M-H]- 222.04347 160.0
[M+NH4]+ 241.08457 170.3
[M+K]+ 262.01391 156.6
[M+H-H2O]+ 206.04801 141.8
[M+HCOO]- 268.04895 174.8
[M+CH3COO]- 282.06460 198.7
[M+Na-2H]- 244.02542 165.5
[M]+ 223.05020 151.2
[M]- 223.05130 151.2
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.