CID 3061922

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

Structural Information

Molecular Formula
C25H33Cl2NO
SMILES
CCCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C25H33Cl2NO/c1-2-3-4-5-6-7-8-9-10-13-18-28-25(21-14-11-12-15-23(21)27)22-19-20(26)16-17-24(22)29/h11-12,14-17,19,29H,2-10,13,18H2,1H3
InChIKey
BEWBQIHBUZXGSP-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-dodecylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1939 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.20118 209.2
[M+Na]+ 456.18312 214.2
[M-H]- 432.18662 213.4
[M+NH4]+ 451.22772 220.2
[M+K]+ 472.15706 205.0
[M+H-H2O]+ 416.19116 201.1
[M+HCOO]- 478.19210 220.5
[M+CH3COO]- 492.20775 231.8
[M+Na-2H]- 454.16857 206.9
[M]+ 433.19335 216.1
[M]- 433.19445 216.1
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.