CID 2120276

5-bromo-2-(prop-2-yn-1-yloxy)benzaldehyde

Structural Information

Molecular Formula
C10H7BrO2
SMILES
C#CCOC1=C(C=C(C=C1)Br)C=O
InChI
InChI=1S/C10H7BrO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6-7H,5H2
InChIKey
NZDZQWZJQYKDBC-UHFFFAOYSA-N
Compound name
5-bromo-2-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

237.96294 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97022 138.0
[M+Na]+ 260.95216 152.7
[M-H]- 236.95566 142.0
[M+NH4]+ 255.99676 157.4
[M+K]+ 276.92610 140.6
[M+H-H2O]+ 220.96020 132.4
[M+HCOO]- 282.96114 157.2
[M+CH3COO]- 296.97679 195.6
[M+Na-2H]- 258.93761 144.6
[M]+ 237.96239 151.9
[M]- 237.96349 151.9
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

patents stripe