CID 3061532

85684-36-2

Structural Information

Molecular Formula
C9H14O2P
SMILES
C[P+](CO)(CO)C1=CC=CC=C1
InChI
InChI=1S/C9H14O2P/c1-12(7-10,8-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/q+1
InChIKey
QQEZKKIUALMAJV-UHFFFAOYSA-N
Compound name
bis(hydroxymethyl)-methyl-phenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.07314 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.080416 144.6
[M+Na]+ 208.062358 151.0
[M-H]- 184.065864 144.7
[M+NH4]+ 203.106963 163.4
[M+K]+ 224.036298 143.1
[M+H-H2O]+ 168.070400 140.3
[M+HCOO]- 230.071341 169.8
[M+CH3COO]- 244.086991 170.6
[M+Na-2H]- 206.047806 151.1
[M]+ 185.07259142 143.3
[M]- 185.07368858 143.3
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

patents stripe