CID 1004

Phosphoric acid

Structural Information

Molecular Formula
H3O4P
SMILES
OP(=O)(O)O
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-N
Compound name
phosphoric acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

72507
References

1057897
Patents

97.9769 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.984176 115.9
[M+Na]+ 120.96612 124.4
[M-H]- 96.969624 111.7
[M+NH4]+ 116.01072 137.7
[M+K]+ 136.94006 124.3
[M+H-H2O]+ 80.974160 110.8
[M+HCOO]- 142.97510 141.7
[M+CH3COO]- 156.99075 155.4
[M+Na-2H]- 118.95157 121.5
[M]+ 97.976351 115.3
[M]- 97.977449 115.3
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.