CID 3448093

2,4-dichloro-n-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H6Cl5NO2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C9H6Cl5NO2/c10-4-1-2-5(6(11)3-4)7(16)15-8(17)9(12,13)14/h1-3,8,17H,(H,15,16)
InChIKey
PNAIHZUWUMSRHC-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.88412 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.89140 163.7
[M+Na]+ 357.87334 171.2
[M-H]- 333.87684 161.6
[M+NH4]+ 352.91794 176.9
[M+K]+ 373.84728 165.9
[M+H-H2O]+ 317.88138 162.2
[M+HCOO]- 379.88232 159.2
[M+CH3COO]- 393.89797 205.5
[M+Na-2H]- 355.85879 163.4
[M]+ 334.88357 162.9
[M]- 334.88467 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

literature stripe

Patent stripe

patents stripe