CID 498071

Schembl11769205

Structural Information

Molecular Formula
C21H20BrP
SMILES
C1=CC=C(C=C1)P(=CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20BrP/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/h1-9,11-16,18H,10,17H2
InChIKey
FZGHVAVDUMJHCW-UHFFFAOYSA-N
Compound name
3-bromopropylidene(triphenyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.0486 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05588 197.1
[M+Na]+ 405.03782 204.8
[M-H]- 381.04132 206.5
[M+NH4]+ 400.08242 212.2
[M+K]+ 421.01176 190.9
[M+H-H2O]+ 365.04586 192.7
[M+HCOO]- 427.04680 220.5
[M+CH3COO]- 441.06245 213.2
[M+Na-2H]- 403.02327 199.4
[M]+ 382.04805 213.7
[M]- 382.04915 213.7
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

patents stripe