CID 85529707

(3-bromophenyl)diphenylphosphine oxide

Structural Information

Molecular Formula
C18H14BrOP
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H14BrOP/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKey
GZZLAPUQZCXKKT-UHFFFAOYSA-N
Compound name
1-bromo-3-diphenylphosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

355.99655 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00383 185.5
[M+Na]+ 378.98577 195.1
[M-H]- 354.98927 195.9
[M+NH4]+ 374.03037 201.8
[M+K]+ 394.95971 182.5
[M+H-H2O]+ 338.99381 181.5
[M+HCOO]- 400.99475 210.1
[M+CH3COO]- 415.01040 208.4
[M+Na-2H]- 376.97122 189.0
[M]+ 355.99600 203.0
[M]- 355.99710 203.0
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