CID 3069395

2-((3-butenylimino)(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C17H15Cl2NO
SMILES
C=CCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C17H15Cl2NO/c1-2-3-10-20-17(13-6-4-5-7-15(13)19)14-11-12(18)8-9-16(14)21/h2,4-9,11,21H,1,3,10H2
InChIKey
SJDANKNJDQEWFO-UHFFFAOYSA-N
Compound name
2-[N-but-3-enyl-C-(2-chlorophenyl)carbonimidoyl]-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.05307 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06035 172.1
[M+Na]+ 342.04229 180.9
[M-H]- 318.04579 178.0
[M+NH4]+ 337.08689 187.7
[M+K]+ 358.01623 172.9
[M+H-H2O]+ 302.05033 165.9
[M+HCOO]- 364.05127 186.4
[M+CH3COO]- 378.06692 207.9
[M+Na-2H]- 340.02774 174.1
[M]+ 319.05252 175.6
[M]- 319.05362 175.6
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.