CID 1809770

113425-80-2

Structural Information

Molecular Formula
C16H9Br2NO3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=C(C(=CC(=C3)Br)Br)O)/C(=O)O2
InChI
InChI=1S/C16H9Br2NO3/c17-11-6-10(14(20)12(18)8-11)7-13-16(21)22-15(19-13)9-4-2-1-3-5-9/h1-8,20H/b13-7-
InChIKey
SRPURPRVWVIXRU-QPEQYQDCSA-N
Compound name
(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.89493 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.90221 171.2
[M+Na]+ 443.88415 182.1
[M-H]- 419.88765 181.6
[M+NH4]+ 438.92875 185.2
[M+K]+ 459.85809 167.5
[M+H-H2O]+ 403.89219 178.6
[M+HCOO]- 465.89313 185.4
[M+CH3COO]- 479.90878 183.9
[M+Na-2H]- 441.86960 174.4
[M]+ 420.89438 205.6
[M]- 420.89548 205.6
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

patents stripe