CID 54313944

Bis(tribromoneopentyl) hydrogen phosphate

Structural Information

Molecular Formula
C10H17Br6O4P
SMILES
CC(C)(CBr)C(OP(=O)(O)OC(C(C)(C)CBr)(Br)Br)(Br)Br
InChI
InChI=1S/C10H17Br6O4P/c1-7(2,5-11)9(13,14)19-21(17,18)20-10(15,16)8(3,4)6-12/h5-6H2,1-4H3,(H,17,18)
InChIKey
SMVGCNHDLBQNOO-UHFFFAOYSA-N
Compound name
bis(1,1,3-tribromo-2,2-dimethylpropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

705.5965 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.60378 211.4
[M+Na]+ 728.58572 220.7
[M-H]- 704.58922 214.4
[M+NH4]+ 723.63032 216.4
[M+K]+ 744.55966 208.9
[M+H-H2O]+ 688.59376 223.6
[M+HCOO]- 750.59470 212.6
[M+CH3COO]- 764.61035 252.0
[M+Na-2H]- 726.57117 206.9
[M]+ 705.59595 231.2
[M]- 705.59705 231.2
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