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
2
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]+ 288.091656 165.3
[M+Na]+ 310.073598 172.6
[M-H]- 286.077104 167.9
[M+NH4]+ 305.118203 182.4
[M+K]+ 326.047538 166.7
[M+H-H2O]+ 270.081640 160.6
[M+HCOO]- 332.082581 178.1
[M+CH3COO]- 346.098231 203.8
[M+Na-2H]- 308.059046 166.0
[M]+ 287.08383142 169.6
[M]- 287.08492858 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