CID 1004

Phosphoric acid

Structural Information

Molecular Formula

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: 72402
References: 999099
Patents: 97.9769 Da
Monoisotopic Mass: -2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe