CID 16099178

2-cyano-n-(2,4-dichloro-5-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C10H8Cl2N2O2
SMILES
COC1=C(C=C(C(=C1)NC(=O)CC#N)Cl)Cl
InChI
InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKey
RPWHAQJEZWBZGX-UHFFFAOYSA-N
Compound name
2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

257.99628 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00356 153.1
[M+Na]+ 280.98550 165.2
[M-H]- 256.98900 156.4
[M+NH4]+ 276.03010 169.8
[M+K]+ 296.95944 159.7
[M+H-H2O]+ 240.99354 142.9
[M+HCOO]- 302.99448 165.8
[M+CH3COO]- 317.01013 206.3
[M+Na-2H]- 278.97095 156.2
[M]+ 257.99573 152.8
[M]- 257.99683 152.8
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