CID 3025227

2,2-dibromovinyl diisopropyl phosphate

Structural Information

Molecular Formula
C8H15Br2O4P
SMILES
CC(C)OP(=O)(OC=C(Br)Br)OC(C)C
InChI
InChI=1S/C8H15Br2O4P/c1-6(2)13-15(11,14-7(3)4)12-5-8(9)10/h5-7H,1-4H3
InChIKey
UHMKPNIUCXXZEZ-UHFFFAOYSA-N
Compound name
2,2-dibromoethenyl dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.90747 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.91475 174.1
[M+Na]+ 386.89669 183.2
[M-H]- 362.90019 176.9
[M+NH4]+ 381.94129 191.2
[M+K]+ 402.87063 168.3
[M+H-H2O]+ 346.90473 179.2
[M+HCOO]- 408.90567 190.1
[M+CH3COO]- 422.92132 212.7
[M+Na-2H]- 384.88214 174.3
[M]+ 363.90692 211.1
[M]- 363.90802 211.1
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.