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

29
Patents

254.14357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.150846 166.1
[M+Na]+ 277.132788 170.8
[M-H]- 253.136294 166.3
[M+NH4]+ 272.177393 182.9
[M+K]+ 293.106728 167.8
[M+H-H2O]+ 237.140830 157.7
[M+HCOO]- 299.141771 190.6
[M+CH3COO]- 313.157421 195.1
[M+Na-2H]- 275.118236 166.4
[M]+ 254.14302142 168.4
[M]- 254.14411858 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