CID 2168622

426232-67-9

Structural Information

Molecular Formula
C12H13BrO3
SMILES
CCOC1=C(C(=CC(=C1)C=O)Br)OCC=C
InChI
InChI=1S/C12H13BrO3/c1-3-5-16-12-10(13)6-9(8-14)7-11(12)15-4-2/h3,6-8H,1,4-5H2,2H3
InChIKey
SNXYFRWECZCTTP-UHFFFAOYSA-N
Compound name
3-bromo-5-ethoxy-4-prop-2-enoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.00482 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01210 152.0
[M+Na]+ 306.99404 164.2
[M-H]- 282.99754 158.5
[M+NH4]+ 302.03864 172.0
[M+K]+ 322.96798 153.0
[M+H-H2O]+ 267.00208 151.6
[M+HCOO]- 329.00302 173.9
[M+CH3COO]- 343.01867 197.7
[M+Na-2H]- 304.97949 157.6
[M]+ 284.00427 175.2
[M]- 284.00537 175.2
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.