CID 197824

(chloromethyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C19H17ClP
SMILES
C1=CC=C(C=C1)[P+](CCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17ClP/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/q+1
InChIKey
JRICKEFXPGZPFZ-UHFFFAOYSA-N
Compound name
chloromethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

754
Patents

311.07565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08293 177.9
[M+Na]+ 334.06487 183.8
[M-H]- 310.06837 185.6
[M+NH4]+ 329.10947 192.5
[M+K]+ 350.03881 171.4
[M+H-H2O]+ 294.07291 169.9
[M+HCOO]- 356.07385 199.9
[M+CH3COO]- 370.08950 197.9
[M+Na-2H]- 332.05032 183.2
[M]+ 311.07510 177.5
[M]- 311.07620 177.5
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