CID 135754397

2-(1-propenylimino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C16H13Cl2NO
SMILES
C/C=C/N=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/h2-10,20H,1H3/b9-2+,19-16?
InChIKey
OQTZOYKILWBRFH-MQRAUCBSSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-[(E)-prop-1-enyl]carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0374 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04468 168.2
[M+Na]+ 328.02662 184.2
[M+NH4]+ 323.07122 177.1
[M+K]+ 344.00056 174.4
[M-H]- 304.03012 173.2
[M+Na-2H]- 326.01207 177.2
[M]+ 305.03685 172.6
[M]- 305.03795 172.6
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.