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

1067498
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]+ 120.966118 124.4
[M-H]- 96.969624 111.7
[M+NH4]+ 116.010723 137.7
[M+K]+ 136.940058 124.3
[M+H-H2O]+ 80.974160 110.8
[M+HCOO]- 142.975101 141.7
[M+CH3COO]- 156.990751 155.4
[M+Na-2H]- 118.951566 121.5
[M]+ 97.97635142 115.3
[M]- 97.97744858 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

literature stripe

Patent stripe

patents stripe