CID 3086305

Hexanedioyl dichloride, 2,2,4(or 2,4,4)-trimethyl-

Structural Information

Molecular Formula
C9H14Cl2O2
SMILES
C[C@H](CC(C)(C)CC(=O)Cl)C(=O)Cl
InChI
InChI=1S/C9H14Cl2O2/c1-6(8(11)13)4-9(2,3)5-7(10)12/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKey
FWOGWYYBHMJNRX-ZCFIWIBFSA-N
Compound name
(2R)-2,4,4-trimethylhexanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04436 147.2
[M+Na]+ 247.02630 157.3
[M+NH4]+ 242.07090 154.1
[M+K]+ 263.00024 152.6
[M-H]- 223.02980 144.8
[M+Na-2H]- 245.01175 149.4
[M]+ 224.03653 148.3
[M]- 224.03763 148.3
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.