CID 6282769

Nsc646500

Structural Information

Molecular Formula
C16H10BrNO4
SMILES
C1/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=C(O1)C=CC(=C3)Br
InChI
InChI=1S/C16H10BrNO4/c17-12-4-5-15-14(8-12)16(19)11(9-22-15)6-10-2-1-3-13(7-10)18(20)21/h1-8H,9H2/b11-6-
InChIKey
FQOPOLRDBWVWAB-WDZFZDKYSA-N
Compound name
(3Z)-6-bromo-3-[(3-nitrophenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.9793 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.98658 175.6
[M+Na]+ 381.96852 185.1
[M-H]- 357.97202 185.8
[M+NH4]+ 377.01312 190.6
[M+K]+ 397.94246 170.4
[M+H-H2O]+ 341.97656 177.7
[M+HCOO]- 403.97750 194.2
[M+CH3COO]- 417.99315 203.5
[M+Na-2H]- 379.95397 182.9
[M]+ 358.97875 192.8
[M]- 358.97985 192.8
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.