CID 78401

Tetradecylphosphonic acid

Structural Information

Molecular Formula
C14H31O3P
SMILES
CCCCCCCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
InChIKey
BVQJQTMSTANITJ-UHFFFAOYSA-N
Compound name
tetradecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

4165
Patents

278.20108 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20836 178.3
[M+Na]+ 301.19030 181.5
[M-H]- 277.19380 173.1
[M+NH4]+ 296.23490 193.8
[M+K]+ 317.16424 178.3
[M+H-H2O]+ 261.19834 170.5
[M+HCOO]- 323.19928 200.8
[M+CH3COO]- 337.21493 198.5
[M+Na-2H]- 299.17575 177.0
[M]+ 278.20053 183.6
[M]- 278.20163 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe