CID 357005

Nsc614574

Structural Information

Molecular Formula
C15H7BrN4O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=NN2C3=CC4=C(C=CC(=C4)Br)OC3=O
InChI
InChI=1S/C15H7BrN4O4/c16-9-1-4-14-8(5-9)6-13(15(21)24-14)19-12-3-2-10(20(22)23)7-11(12)17-18-19/h1-7H
InChIKey
LJLMLUZHZXTUSP-UHFFFAOYSA-N
Compound name
6-bromo-3-(5-nitrobenzotriazol-1-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.96506 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.97234 176.9
[M+Na]+ 408.95428 190.3
[M-H]- 384.95778 186.3
[M+NH4]+ 403.99888 190.0
[M+K]+ 424.92822 175.9
[M+H-H2O]+ 368.96232 178.1
[M+HCOO]- 430.96326 196.3
[M+CH3COO]- 444.97891 208.2
[M+Na-2H]- 406.93973 187.6
[M]+ 385.96451 199.2
[M]- 385.96561 199.2
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.