CID 21721374

1-bromo-3,4-dimethyl-2,5-dihydro-1h-1lambda5-phosphol-1-one

Structural Information

Molecular Formula
C6H10BrOP
SMILES
CC1=C(CP(=O)(C1)Br)C
InChI
InChI=1S/C6H10BrOP/c1-5-3-9(7,8)4-6(5)2/h3-4H2,1-2H3
InChIKey
LPVOQSQTOBEFEO-UHFFFAOYSA-N
Compound name
1-bromo-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.96526 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97254 142.5
[M+Na]+ 230.95448 156.0
[M-H]- 206.95798 148.5
[M+NH4]+ 225.99908 169.6
[M+K]+ 246.92842 145.8
[M+H-H2O]+ 190.96252 142.5
[M+HCOO]- 252.96346 169.7
[M+CH3COO]- 266.97911 183.3
[M+Na-2H]- 228.93993 145.8
[M]+ 207.96471 162.3
[M]- 207.96581 162.3
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.