CID 21393

2,3-dibromopropyl dihydrogen phosphate

Structural Information

Molecular Formula
C3H7Br2O4P
SMILES
C(C(CBr)Br)OP(=O)(O)O
InChI
InChI=1S/C3H7Br2O4P/c4-1-3(5)2-9-10(6,7)8/h3H,1-2H2,(H2,6,7,8)
InChIKey
GMAAWZONVLTAMA-UHFFFAOYSA-N
Compound name
2,3-dibromopropyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

993
Patents

295.84488 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.85216 156.5
[M+Na]+ 318.83410 166.4
[M-H]- 294.83760 157.5
[M+NH4]+ 313.87870 174.5
[M+K]+ 334.80804 150.7
[M+H-H2O]+ 278.84214 162.2
[M+HCOO]- 340.84308 172.7
[M+CH3COO]- 354.85873 197.5
[M+Na-2H]- 316.81955 159.7
[M]+ 295.84433 190.7
[M]- 295.84543 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe