CID 162345592

Ns00133053

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)C#N
InChI
InChI=1S/C16H11ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
WUBJHYFGONXBLT-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-1-cyano-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.058176 172.4
[M+Na]+ 321.040118 182.5
[M-H]- 297.043624 178.9
[M+NH4]+ 316.084723 186.7
[M+K]+ 337.014058 176.5
[M+H-H2O]+ 281.048160 158.8
[M+HCOO]- 343.049101 188.4
[M+CH3COO]- 357.064751 216.5
[M+Na-2H]- 319.025566 173.7
[M]+ 298.05035142 170.2
[M]- 298.05144858 170.2
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.