CID 201622

Diiodotriphenylphosphorane

Structural Information

Molecular Formula
C18H15I2P
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(I)I
InChI
InChI=1S/C18H15I2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
NSWZEXJQHIXCFL-UHFFFAOYSA-N
Compound name
diiodo(triphenyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

129
Patents

515.9001 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.90738 189.5
[M+Na]+ 538.88932 180.8
[M-H]- 514.89282 183.0
[M+NH4]+ 533.93392 193.5
[M+K]+ 554.86326 187.2
[M+H-H2O]+ 498.89736 173.0
[M+HCOO]- 560.89830 203.6
[M+CH3COO]- 574.91395 221.3
[M+Na-2H]- 536.87477 173.4
[M]+ 515.89955 182.2
[M]- 515.90065 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe