CID 3061936

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

Structural Information

Molecular Formula
C16H13Cl2NO
SMILES
C=CCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C16H13Cl2NO/c1-2-9-19-16(12-5-3-4-6-14(12)18)13-10-11(17)7-8-15(13)20/h2-8,10,20H,1,9H2
InChIKey
DPZWVXOGXSQRCK-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-prop-2-enylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0374 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.044676 167.5
[M+Na]+ 328.026618 176.7
[M-H]- 304.030124 173.5
[M+NH4]+ 323.071223 183.7
[M+K]+ 344.000558 169.0
[M+H-H2O]+ 288.034660 161.5
[M+HCOO]- 350.035601 182.1
[M+CH3COO]- 364.051251 204.9
[M+Na-2H]- 326.012066 170.1
[M]+ 305.03685142 170.6
[M]- 305.03794858 170.6
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.