CID 3055048

2-(((4-bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid

Structural Information

Molecular Formula
C15H10BrNO4
SMILES
C1OC2=C(O1)C(=C(C=C2)C=NC3=CC=CC=C3C(=O)O)Br
InChI
InChI=1S/C15H10BrNO4/c16-13-9(5-6-12-14(13)21-8-20-12)7-17-11-4-2-1-3-10(11)15(18)19/h1-7H,8H2,(H,18,19)
InChIKey
LVGWYXSQILIRBQ-UHFFFAOYSA-N
Compound name
2-[(4-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.9793 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.98658 170.0
[M+Na]+ 369.96852 173.4
[M+NH4]+ 365.01312 173.9
[M+K]+ 385.94246 175.3
[M-H]- 345.97202 174.1
[M+Na-2H]- 367.95397 172.0
[M]+ 346.97875 170.4
[M]- 346.97985 170.4
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.