CID 115209

83792-61-4

Structural Information

Molecular Formula
C11H11Cl2NO2
SMILES
CC(C=C)(C(=O)NC1=CC(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C11H11Cl2NO2/c1-3-11(2,16)10(15)14-9-5-7(12)4-8(13)6-9/h3-6,16H,1H2,2H3,(H,14,15)
InChIKey
FBYYIBNYONAZCU-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

4
Patents

259.0167 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02398 153.5
[M+Na]+ 282.00592 162.5
[M-H]- 258.00942 155.7
[M+NH4]+ 277.05052 171.1
[M+K]+ 297.97986 156.5
[M+H-H2O]+ 242.01396 150.1
[M+HCOO]- 304.01490 165.7
[M+CH3COO]- 318.03055 193.2
[M+Na-2H]- 279.99137 157.3
[M]+ 259.01615 155.7
[M]- 259.01725 155.7
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.