CID 9578588

Benzaldehyde, 3,4-(methylenedioxy)-, (p-bromophenyl)hydrazone

Structural Information

Molecular Formula
C14H11BrN2O2
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H11BrN2O2/c15-11-2-4-12(5-3-11)17-16-8-10-1-6-13-14(7-10)19-9-18-13/h1-8,17H,9H2/b16-8+
InChIKey
KRQNYUIAAJLRIN-LZYBPNLTSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0004 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00768 166.1
[M+Na]+ 340.98962 176.5
[M-H]- 316.99312 178.3
[M+NH4]+ 336.03422 184.2
[M+K]+ 356.96356 167.3
[M+H-H2O]+ 300.99766 164.5
[M+HCOO]- 362.99860 189.0
[M+CH3COO]- 377.01425 180.5
[M+Na-2H]- 338.97507 175.0
[M]+ 317.99985 186.1
[M]- 318.00095 186.1
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.