CID 2068125

3-bromo-5-chloro-4-(prop-2-yn-1-yloxy)benzaldehyde

Structural Information

Molecular Formula
C10H6BrClO2
SMILES
C#CCOC1=C(C=C(C=C1Br)C=O)Cl
InChI
InChI=1S/C10H6BrClO2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h1,4-6H,3H2
InChIKey
YUGPAFOCCFNZCL-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.92398 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.93126 141.8
[M+Na]+ 294.91320 158.3
[M-H]- 270.91670 146.1
[M+NH4]+ 289.95780 161.1
[M+K]+ 310.88714 144.3
[M+H-H2O]+ 254.92124 137.2
[M+HCOO]- 316.92218 157.1
[M+CH3COO]- 330.93783 199.8
[M+Na-2H]- 292.89865 147.6
[M]+ 271.92343 157.6
[M]- 271.92453 157.6
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.