CID 2723863

Bromo(3-bromopropyl)triphenylphosphorus

Structural Information

Molecular Formula
C21H21BrP
SMILES
C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H21BrP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2/q+1
InChIKey
LNQACCOAGJGYQQ-UHFFFAOYSA-N
Compound name
3-bromopropyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

403
Patents

383.05643 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06371 202.8
[M+Na]+ 406.04565 209.9
[M-H]- 382.04915 212.4
[M+NH4]+ 401.09025 217.5
[M+K]+ 422.01959 191.6
[M+H-H2O]+ 366.05369 200.7
[M+HCOO]- 428.05463 225.6
[M+CH3COO]- 442.07028 208.7
[M+Na-2H]- 404.03110 207.1
[M]+ 383.05588 219.4
[M]- 383.05698 219.4
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