CID 14578

N-(2,2-dichloro-1-hydroxyethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C9H8Cl2FNO2
SMILES
C1=CC(=CC=C1C(=O)NC(C(Cl)Cl)O)F
InChI
InChI=1S/C9H8Cl2FNO2/c10-7(11)9(15)13-8(14)5-1-3-6(12)4-2-5/h1-4,7,9,15H,(H,13,14)
InChIKey
WRQDGPXEQMJEKS-UHFFFAOYSA-N
Compound name
N-(2,2-dichloro-1-hydroxyethyl)-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.99889 146.1
[M+Na]+ 273.98083 154.0
[M-H]- 249.98433 146.7
[M+NH4]+ 269.02543 163.5
[M+K]+ 289.95477 149.0
[M+H-H2O]+ 233.98887 141.6
[M+HCOO]- 295.98981 157.5
[M+CH3COO]- 310.00546 191.0
[M+Na-2H]- 271.96628 148.2
[M]+ 250.99106 146.4
[M]- 250.99216 146.4
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.