CID 9374

Rubber, natural-smoked sheet and latex solids (hevea brasiliensis)

Structural Information

Molecular Formula
C7H9BrNO5P
SMILES
C1=CC(=C(C=C1CON)OP(=O)(O)O)Br
InChI
InChI=1S/C7H9BrNO5P/c8-6-2-1-5(4-13-9)3-7(6)14-15(10,11)12/h1-3H,4,9H2,(H2,10,11,12)
InChIKey
WXTCJRIXRVJTPP-UHFFFAOYSA-N
Compound name
[5-(aminooxymethyl)-2-bromophenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

296.94016 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.94744 161.2
[M+Na]+ 319.92938 171.5
[M-H]- 295.93288 163.4
[M+NH4]+ 314.97398 178.5
[M+K]+ 335.90332 160.7
[M+H-H2O]+ 279.93742 158.0
[M+HCOO]- 341.93836 184.9
[M+CH3COO]- 355.95401 193.8
[M+Na-2H]- 317.91483 164.6
[M]+ 296.93961 180.5
[M]- 296.94071 180.5
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