CID 3061925

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

Structural Information

Molecular Formula
C28H39Cl2NO
SMILES
CCCCCCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C28H39Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-31-28(24-17-14-15-18-26(24)30)25-22-23(29)19-20-27(25)32/h14-15,17-20,22,32H,2-13,16,21H2,1H3
InChIKey
MFIZFGFDYZROOA-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-pentadecylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.24088 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.24816 222.4
[M+Na]+ 498.23010 226.1
[M-H]- 474.23360 226.0
[M+NH4]+ 493.27470 231.7
[M+K]+ 514.20404 216.2
[M+H-H2O]+ 458.23814 213.6
[M+HCOO]- 520.23908 232.7
[M+CH3COO]- 534.25473 240.3
[M+Na-2H]- 496.21555 218.5
[M]+ 475.24033 230.4
[M]- 475.24143 230.4
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.