CID 695062

304896-35-3

Structural Information

Molecular Formula
C14H8Cl2N2O2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C14H8Cl2N2O2/c15-11-3-1-2-10(13(11)16)12-5-4-9(20-12)6-8(7-17)14(18)19/h1-6H,(H2,18,19)/b8-6+
InChIKey
ULJYZLXJKSLSRQ-SOFGYWHQSA-N
Compound name
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.99628 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00356 175.0
[M+Na]+ 328.98550 187.0
[M-H]- 304.98900 180.3
[M+NH4]+ 324.03010 189.4
[M+K]+ 344.95944 179.6
[M+H-H2O]+ 288.99354 163.0
[M+HCOO]- 350.99448 185.8
[M+CH3COO]- 365.01013 212.5
[M+Na-2H]- 326.97095 174.1
[M]+ 305.99573 172.8
[M]- 305.99683 172.8
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.