CID 292703

4-bromo-n-piperonylideneaniline

Structural Information

Molecular Formula
C14H10BrNO2
SMILES
C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H10BrNO2/c15-11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)18-9-17-13/h1-8H,9H2
InChIKey
SIWGMOUGLBGTRY-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.9895 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99678 162.9
[M+Na]+ 325.97872 174.4
[M-H]- 301.98222 175.4
[M+NH4]+ 321.02332 182.1
[M+K]+ 341.95266 165.5
[M+H-H2O]+ 285.98676 162.3
[M+HCOO]- 347.98770 185.0
[M+CH3COO]- 362.00335 178.0
[M+Na-2H]- 323.96417 171.3
[M]+ 302.98895 183.7
[M]- 302.99005 183.7
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.