CID 5426758

(2e)-3-(5-chloro-2-hydroxyphenyl)-2-methylacrylaldehyde

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C/C(=C\C1=C(C=CC(=C1)Cl)O)/C=O
InChI
InChI=1S/C10H9ClO2/c1-7(6-12)4-8-5-9(11)2-3-10(8)13/h2-6,13H,1H3/b7-4+
InChIKey
BHOJOPIJARRCBE-QPJJXVBHSA-N
Compound name
(E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.02911 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 138.7
[M+Na]+ 219.01833 152.4
[M+NH4]+ 214.06293 146.9
[M+K]+ 234.99227 145.6
[M-H]- 195.02183 140.0
[M+Na-2H]- 217.00378 144.9
[M]+ 196.02856 141.2
[M]- 196.02966 141.2
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

patents stripe