CID 5289215

Pasbn

Structural Information

Molecular Formula

C₁₄H₁₃O₅P

SMILES

C1=CC=C(C=C1)COP(=O)(O)OC2=CC=CC=C2C=O

InChI

InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)

InChIKey

PWDTUFYQEUEVQD-UHFFFAOYSA-N

Compound name

benzyl (2-formylphenyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 292.05005 Da
Monoisotopic Mass: 1.8
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]+	293.057326	164.4
[M+Na]+	315.039268	171.1
[M-H]-	291.042774	168.6
[M+NH4]+	310.083873	179.0
[M+K]+	331.013208	168.7
[M+H-H2O]+	275.047310	154.5
[M+HCOO]-	337.048251	192.0
[M+CH3COO]-	351.063901	196.7
[M+Na-2H]-	313.024716	168.3
[M]+	292.04950142	168.2
[M]-	292.05059858	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe