CID 478734

1-s-dodecyl-sn-thioglycero-3-phosphonoformate

Structural Information

Molecular Formula
C16H33O6PS
SMILES
CCCCCCCCCCCCSC[C@@H](COP(=O)(C(=O)O)O)O
InChI
InChI=1S/C16H33O6PS/c1-2-3-4-5-6-7-8-9-10-11-12-24-14-15(17)13-22-23(20,21)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKey
CHLDFENEIDIOKM-OAHLLOKOSA-N
Compound name
[[(2R)-3-dodecylsulfanyl-2-hydroxypropoxy]-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.17355 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18083 195.4
[M+Na]+ 407.16277 195.8
[M-H]- 383.16627 188.2
[M+NH4]+ 402.20737 196.6
[M+K]+ 423.13671 192.5
[M+H-H2O]+ 367.17081 186.4
[M+HCOO]- 429.17175 206.8
[M+CH3COO]- 443.18740 212.3
[M+Na-2H]- 405.14822 189.2
[M]+ 384.17300 203.3
[M]- 384.17410 203.3
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

No patent data available for this compound.