CID 118989971

2,6-dichloro-n-(2,6-dimethylphenyl)hexanamide

Structural Information

Molecular Formula
C14H19Cl2NO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(CCCCCl)Cl
InChI
InChI=1S/C14H19Cl2NO/c1-10-6-5-7-11(2)13(10)17-14(18)12(16)8-3-4-9-15/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKey
JHPMUNZBGKBWPW-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-(2,6-dimethylphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

287.08438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09166 165.3
[M+Na]+ 310.07360 172.6
[M-H]- 286.07710 167.9
[M+NH4]+ 305.11820 182.4
[M+K]+ 326.04754 166.7
[M+H-H2O]+ 270.08164 160.6
[M+HCOO]- 332.08258 178.1
[M+CH3COO]- 346.09823 203.8
[M+Na-2H]- 308.05905 166.0
[M]+ 287.08383 169.6
[M]- 287.08493 169.6
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

patents stripe