CID 724058

2-(benzoylamino)-3,3-dichloroacrylic acid

Structural Information

Molecular Formula
C10H7Cl2NO3
SMILES
C1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)C(=O)O
InChI
InChI=1S/C10H7Cl2NO3/c11-8(12)7(10(15)16)13-9(14)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKey
NXZZZPFIONENKC-UHFFFAOYSA-N
Compound name
2-benzamido-3,3-dichloroprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

258.9803 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98758 151.4
[M+Na]+ 281.96952 162.0
[M+NH4]+ 277.01412 157.9
[M+K]+ 297.94346 157.4
[M-H]- 257.97302 151.2
[M+Na-2H]- 279.95497 155.9
[M]+ 258.97975 153.0
[M]- 258.98085 153.0
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