CID 45044

63887-31-0

Structural Information

Molecular Formula
C10H10Cl2N2O
SMILES
C=CCNC(=O)C1=CC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C10H10Cl2N2O/c1-2-3-14-10(15)6-4-7(11)9(13)8(12)5-6/h2,4-5H,1,3,13H2,(H,14,15)
InChIKey
AAOSJWNCVPYQFB-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichloro-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01701 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02429 151.9
[M+Na]+ 267.00623 161.4
[M-H]- 243.00973 154.9
[M+NH4]+ 262.05083 170.3
[M+K]+ 282.98017 155.1
[M+H-H2O]+ 227.01427 147.9
[M+HCOO]- 289.01521 167.5
[M+CH3COO]- 303.03086 195.8
[M+Na-2H]- 264.99168 154.2
[M]+ 244.01646 153.2
[M]- 244.01756 153.2
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.