CID 3061918

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

Structural Information

Molecular Formula
C21H25Cl2NO
SMILES
CCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C21H25Cl2NO/c1-2-3-4-5-6-9-14-24-21(17-10-7-8-11-19(17)23)18-15-16(22)12-13-20(18)25/h7-8,10-13,15,25H,2-6,9,14H2,1H3
InChIKey
KOGUEWQDLWUNBT-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-octylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13132 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13860 191.2
[M+Na]+ 400.12054 198.0
[M-H]- 376.12404 196.3
[M+NH4]+ 395.16514 204.6
[M+K]+ 416.09448 189.7
[M+H-H2O]+ 360.12858 184.1
[M+HCOO]- 422.12952 204.0
[M+CH3COO]- 436.14517 220.3
[M+Na-2H]- 398.10599 191.1
[M]+ 377.13077 196.8
[M]- 377.13187 196.8
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.