CID 4581284

(1-methyl-heptyl)-phenyl-phosphinic acid

Structural Information

Molecular Formula
C14H23O2P
SMILES
CCCCCCC(C)P(=O)(C1=CC=CC=C1)O
InChI
InChI=1S/C14H23O2P/c1-3-4-5-7-10-13(2)17(15,16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,15,16)
InChIKey
QNZNGRLBRJBBSQ-UHFFFAOYSA-N
Compound name
octan-2-yl(phenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

254.14357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15085 166.1
[M+Na]+ 277.13279 170.8
[M-H]- 253.13629 166.3
[M+NH4]+ 272.17739 182.9
[M+K]+ 293.10673 167.8
[M+H-H2O]+ 237.14083 157.7
[M+HCOO]- 299.14177 190.6
[M+CH3COO]- 313.15742 195.1
[M+Na-2H]- 275.11824 166.4
[M]+ 254.14302 168.4
[M]- 254.14412 168.4
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