CID 61390869

1106304-56-6

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C=CCOC1=C(C=CC=C1Br)C=O
InChI
InChI=1S/C10H9BrO2/c1-2-6-13-10-8(7-12)4-3-5-9(10)11/h2-5,7H,1,6H2
InChIKey
NCXUZGJWKOHRDP-UHFFFAOYSA-N
Compound name
3-bromo-2-prop-2-enoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97859 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 140.9
[M+Na]+ 262.96781 153.3
[M-H]- 238.97131 147.5
[M+NH4]+ 258.01241 162.5
[M+K]+ 278.94175 142.0
[M+H-H2O]+ 222.97585 141.1
[M+HCOO]- 284.97679 163.3
[M+CH3COO]- 298.99244 189.0
[M+Na-2H]- 260.95326 148.3
[M]+ 239.97804 161.8
[M]- 239.97914 161.8
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.