CID 494179

Nsc212178

Structural Information

Molecular Formula
C27H24ClNO3P
SMILES
C1=CC=C(C=C1)[P+](CCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24ClNO3P/c28-26-21-22(29(30)31)17-18-27(26)32-19-10-20-33(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-18,21H,10,19-20H2/q+1
InChIKey
CIWZJYYPSPGQQP-UHFFFAOYSA-N
Compound name
3-(2-chloro-4-nitrophenoxy)propyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.11823 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.12551 223.0
[M+Na]+ 499.10745 224.7
[M-H]- 475.11095 232.6
[M+NH4]+ 494.15205 228.8
[M+K]+ 515.08139 208.6
[M+H-H2O]+ 459.11549 215.9
[M+HCOO]- 521.11643 243.3
[M+CH3COO]- 535.13208 223.1
[M+Na-2H]- 497.09290 226.9
[M]+ 476.11768 222.7
[M]- 476.11878 222.7
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.