CID 3061937

2-((1,2-dimethylpropyl)imino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08438 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09166 176.0
[M+Na]+ 358.07360 183.5
[M-H]- 334.07710 182.0
[M+NH4]+ 353.11820 191.0
[M+K]+ 374.04754 177.0
[M+H-H2O]+ 318.08164 170.0
[M+HCOO]- 380.08258 188.0
[M+CH3COO]- 394.09823 213.3
[M+Na-2H]- 356.05905 175.4
[M]+ 335.08383 179.6
[M]- 335.08493 179.6
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.