CID 3069397

2-(2-methyl-2-propenylimino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C17H15Cl2NO
SMILES
CC(=C)CN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C17H15Cl2NO/c1-11(2)10-20-17(13-5-3-4-6-15(13)19)14-9-12(18)7-8-16(14)21/h3-9,21H,1,10H2,2H3
InChIKey
IQMXSKDXSORSSN-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylprop-2-enyl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.05307 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06035 171.4
[M+Na]+ 342.04229 179.9
[M-H]- 318.04579 177.4
[M+NH4]+ 337.08689 187.0
[M+K]+ 358.01623 172.5
[M+H-H2O]+ 302.05033 165.5
[M+HCOO]- 364.05127 184.8
[M+CH3COO]- 378.06692 208.7
[M+Na-2H]- 340.02774 172.4
[M]+ 319.05252 174.4
[M]- 319.05362 174.4
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.