CID 2171314

428493-92-9

Structural Information

Molecular Formula
C11H9BrO3
SMILES
COC1=C(C=C(C(=C1)C=O)Br)OCC#C
InChI
InChI=1S/C11H9BrO3/c1-3-4-15-11-6-9(12)8(7-13)5-10(11)14-2/h1,5-7H,4H2,2H3
InChIKey
FMHMAMWYTXOWSD-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxy-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

267.9735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 143.2
[M+Na]+ 290.96272 158.0
[M-H]- 266.96622 147.3
[M+NH4]+ 286.00732 161.6
[M+K]+ 306.93666 146.3
[M+H-H2O]+ 250.97076 137.2
[M+HCOO]- 312.97170 162.2
[M+CH3COO]- 326.98735 200.8
[M+Na-2H]- 288.94817 148.7
[M]+ 267.97295 158.8
[M]- 267.97405 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.