CID 10986752

2-chloro-3-(hydroxymethylene)cyclohex-1-enecarbaldehyde

Structural Information

Molecular Formula
C8H9ClO2
SMILES
C1C/C(=C/O)/C(=C(C1)C=O)Cl
InChI
InChI=1S/C8H9ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h4-5,10H,1-3H2/b6-4-
InChIKey
JWUQFQYYMGMPKE-XQRVVYSFSA-N
Compound name
(3Z)-2-chloro-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

172.02911 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 132.2
[M+Na]+ 195.01833 144.8
[M+NH4]+ 190.06293 140.8
[M+K]+ 210.99227 138.1
[M-H]- 171.02183 133.4
[M+Na-2H]- 193.00378 137.5
[M]+ 172.02856 134.5
[M]- 172.02966 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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