CID 3418

Fosfosal

Structural Information

Molecular Formula
C7H7O6P
SMILES
C1=CC=C(C(=C1)C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChIKey
FFKUDWZICMJVPA-UHFFFAOYSA-N
Compound name
2-phosphonooxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

3081
Patents

217.99803 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00531 142.2
[M+Na]+ 240.98725 149.5
[M-H]- 216.99075 141.1
[M+NH4]+ 236.03185 158.8
[M+K]+ 256.96119 148.5
[M+H-H2O]+ 200.99529 134.9
[M+HCOO]- 262.99623 166.9
[M+CH3COO]- 277.01188 177.9
[M+Na-2H]- 238.97270 145.4
[M]+ 217.99748 143.4
[M]- 217.99858 143.4
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