CID 109200

Octanedioyl dichloride, ethyl-

Structural Information

Molecular Formula
C10H16Cl2O2
SMILES
CCC(CCCC(=O)Cl)CCC(=O)Cl
InChI
InChI=1S/C10H16Cl2O2/c1-2-8(6-7-10(12)14)4-3-5-9(11)13/h8H,2-7H2,1H3
InChIKey
XOFROKYLSKPSOE-UHFFFAOYSA-N
Compound name
4-ethyloctanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05273 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06001 150.4
[M+Na]+ 261.04195 157.2
[M-H]- 237.04545 149.7
[M+NH4]+ 256.08655 169.4
[M+K]+ 277.01589 153.0
[M+H-H2O]+ 221.04999 147.4
[M+HCOO]- 283.05093 161.5
[M+CH3COO]- 297.06658 192.3
[M+Na-2H]- 259.02740 150.8
[M]+ 238.05218 155.6
[M]- 238.05328 155.6
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.