CID 3271883

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

Structural Information

Molecular Formula
C10H7ClO2
SMILES
C#CCOC1=C(C=C(C=C1)C=O)Cl
InChI
InChI=1S/C10H7ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h1,3-4,6-7H,5H2
InChIKey
UYCJAUZZEFTKHS-UHFFFAOYSA-N
Compound name
3-chloro-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01346 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02074 136.4
[M+Na]+ 217.00268 149.1
[M-H]- 193.00618 139.2
[M+NH4]+ 212.04728 155.1
[M+K]+ 232.97662 143.5
[M+H-H2O]+ 177.01072 126.1
[M+HCOO]- 239.01166 151.6
[M+CH3COO]- 253.02731 190.0
[M+Na-2H]- 214.98813 141.6
[M]+ 194.01291 135.3
[M]- 194.01401 135.3
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.