CID 14141896

10412-36-9

Structural Information

Molecular Formula
C7H8Cl2O
SMILES
C1CCC(=O)C(=C(Cl)Cl)C1
InChI
InChI=1S/C7H8Cl2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4H2
InChIKey
GIGMHHYQSSDICJ-UHFFFAOYSA-N
Compound name
2-(dichloromethylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00250 133.2
[M+Na]+ 200.98444 140.8
[M-H]- 176.98794 135.6
[M+NH4]+ 196.02904 154.3
[M+K]+ 216.95838 136.3
[M+H-H2O]+ 160.99248 130.0
[M+HCOO]- 222.99342 144.0
[M+CH3COO]- 237.00907 176.7
[M+Na-2H]- 198.96989 136.3
[M]+ 177.99467 130.7
[M]- 177.99577 130.7
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.