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]+ 306.04468 167.5
[M+Na]+ 328.02662 176.7
[M-H]- 304.03012 173.5
[M+NH4]+ 323.07122 183.7
[M+K]+ 344.00056 169.0
[M+H-H2O]+ 288.03466 161.5
[M+HCOO]- 350.03560 182.1
[M+CH3COO]- 364.05125 204.9
[M+Na-2H]- 326.01207 170.1
[M]+ 305.03685 170.6
[M]- 305.03795 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.