CID 427758

(4,5-dihydro-1h-pyrazol-3-yl)-triphenyl-phosphonium, bromide

Structural Information

Molecular Formula
C21H20N2P
SMILES
C1CNN=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2P/c1-4-10-18(11-5-1)24(21-16-17-22-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2/q+1
InChIKey
GCMZGZLQXSHRLR-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-pyrazol-3-yl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1364 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14368 183.3
[M+Na]+ 354.12562 186.6
[M-H]- 330.12912 190.0
[M+NH4]+ 349.17022 193.7
[M+K]+ 370.09956 174.3
[M+H-H2O]+ 314.13366 172.4
[M+HCOO]- 376.13460 205.4
[M+CH3COO]- 390.15025 199.0
[M+Na-2H]- 352.11107 186.6
[M]+ 331.13585 176.4
[M]- 331.13695 176.4
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.