CID 6153559

Cartilagineal

Structural Information

Molecular Formula
C10H11Cl3O
SMILES
CC(C=C)(C(/C=C/C(=C/Cl)/C=O)Cl)Cl
InChI
InChI=1S/C10H11Cl3O/c1-3-10(2,13)9(12)5-4-8(6-11)7-14/h3-7,9H,1H2,2H3/b5-4+,8-6-
InChIKey
VUMGFDOJOXNAHX-LMJRQTCTSA-N
Compound name
(2Z,3E)-5,6-dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.98755 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99483 151.9
[M+Na]+ 274.97677 159.9
[M-H]- 250.98027 150.6
[M+NH4]+ 270.02137 170.3
[M+K]+ 290.95071 152.8
[M+H-H2O]+ 234.98481 150.1
[M+HCOO]- 296.98575 157.2
[M+CH3COO]- 311.00140 192.1
[M+Na-2H]- 272.96222 153.0
[M]+ 251.98700 154.0
[M]- 251.98810 154.0
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