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]+ 186.08042 144.6
[M+Na]+ 208.06236 151.0
[M-H]- 184.06586 144.7
[M+NH4]+ 203.10696 163.4
[M+K]+ 224.03630 143.1
[M+H-H2O]+ 168.07040 140.3
[M+HCOO]- 230.07134 169.8
[M+CH3COO]- 244.08699 170.6
[M+Na-2H]- 206.04781 151.1
[M]+ 185.07259 143.3
[M]- 185.07369 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