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

459
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 132.4
[M+Na]+ 195.01833 141.0
[M-H]- 171.02183 134.7
[M+NH4]+ 190.06293 153.3
[M+K]+ 210.99227 136.8
[M+H-H2O]+ 155.02637 128.6
[M+HCOO]- 217.02731 149.2
[M+CH3COO]- 231.04296 174.1
[M+Na-2H]- 193.00378 136.9
[M]+ 172.02856 131.3
[M]- 172.02966 131.3
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.