CID 3061913

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

Structural Information

Molecular Formula
C18H19Cl2NO
SMILES
CCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C18H19Cl2NO/c1-2-3-6-11-21-18(14-7-4-5-8-16(14)20)15-12-13(19)9-10-17(15)22/h4-5,7-10,12,22H,2-3,6,11H2,1H3
InChIKey
HLBHNQTVPLFPGR-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08438 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09166 177.5
[M+Na]+ 358.07360 185.6
[M-H]- 334.07710 183.2
[M+NH4]+ 353.11820 192.6
[M+K]+ 374.04754 178.0
[M+H-H2O]+ 318.08164 171.1
[M+HCOO]- 380.08258 191.3
[M+CH3COO]- 394.09823 211.6
[M+Na-2H]- 356.05905 179.1
[M]+ 335.08383 182.1
[M]- 335.08493 182.1
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.