CID 3040308

52030-07-6

Structural Information

Molecular Formula
C11H21Cl2NO
SMILES
CCCC(CCC)C(C)NC(=O)C(Cl)Cl
InChI
InChI=1S/C11H21Cl2NO/c1-4-6-9(7-5-2)8(3)14-11(15)10(12)13/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKey
JEFNXWUXZGSBKQ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(3-propylhexan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10002 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10730 159.5
[M+Na]+ 276.08924 164.6
[M-H]- 252.09274 158.6
[M+NH4]+ 271.13384 177.6
[M+K]+ 292.06318 160.6
[M+H-H2O]+ 236.09728 156.1
[M+HCOO]- 298.09822 169.9
[M+CH3COO]- 312.11387 199.1
[M+Na-2H]- 274.07469 158.1
[M]+ 253.09947 162.9
[M]- 253.10057 162.9
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.