CID 16133779

Schembl4320579

Structural Information

Molecular Formula
C9H7O5P
SMILES
C1=CC=C(C=C1)/C(=C/OP(=O)=O)/C(=O)O
InChI
InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/b8-6-
InChIKey
WSMRUPUEYOBWRC-VURMDHGXSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.00311 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01039 144.7
[M+Na]+ 248.99233 151.2
[M-H]- 224.99583 145.8
[M+NH4]+ 244.03693 162.0
[M+K]+ 264.96627 150.1
[M+H-H2O]+ 209.00037 136.5
[M+HCOO]- 271.00131 171.8
[M+CH3COO]- 285.01696 184.3
[M+Na-2H]- 246.97778 145.1
[M]+ 226.00256 146.6
[M]- 226.00366 146.6
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