CID 511396

Schembl9187204

Structural Information

Molecular Formula
CH4BrClO6P2
SMILES
C(P(=O)(O)O)(P(=O)(O)O)(Cl)Br
InChI
InChI=1S/CH4BrClO6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKey
QODDBFFBGOTOQI-UHFFFAOYSA-N
Compound name
(bromo-chloro-phosphonomethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

287.8355 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.84278 163.7
[M+Na]+ 310.82472 175.5
[M-H]- 286.82822 160.5
[M+NH4]+ 305.86932 181.8
[M+K]+ 326.79866 162.9
[M+H-H2O]+ 270.83276 162.1
[M+HCOO]- 332.83370 182.3
[M+CH3COO]- 346.84935 182.6
[M+Na-2H]- 308.81017 168.4
[M]+ 287.83495 183.0
[M]- 287.83605 183.0
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

No patent data available for this compound.