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]+ 195.020736 136.4
[M+Na]+ 217.002678 149.1
[M-H]- 193.006184 139.2
[M+NH4]+ 212.047283 155.1
[M+K]+ 232.976618 143.5
[M+H-H2O]+ 177.010720 126.1
[M+HCOO]- 239.011661 151.6
[M+CH3COO]- 253.027311 190.0
[M+Na-2H]- 214.988126 141.6
[M]+ 194.01291142 135.3
[M]- 194.01400858 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.