CID 170077

1,3,2-dioxaphosphorinane, 5,5-bis(bromomethyl)-2-chloro-

Structural Information

Molecular Formula
C5H8Br2ClO2P
SMILES
C1C(COP(O1)Cl)(CBr)CBr
InChI
InChI=1S/C5H8Br2ClO2P/c6-1-5(2-7)3-9-11(8)10-4-5/h1-4H2
InChIKey
NKWWWOFFAOIWBY-UHFFFAOYSA-N
Compound name
5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

323.83173 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.83901 159.5
[M+Na]+ 346.82095 170.5
[M-H]- 322.82445 166.1
[M+NH4]+ 341.86555 178.5
[M+K]+ 362.79489 156.1
[M+H-H2O]+ 306.82899 167.3
[M+HCOO]- 368.82993 172.4
[M+CH3COO]- 382.84558 203.4
[M+Na-2H]- 344.80640 164.6
[M]+ 323.83118 195.0
[M]- 323.83228 195.0
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