CID 23030716

(2,3,4-trimethylphenyl) dihydrogen phosphate

Structural Information

Molecular Formula
C9H13O4P
SMILES
CC1=C(C(=C(C=C1)OP(=O)(O)O)C)C
InChI
InChI=1S/C9H13O4P/c1-6-4-5-9(8(3)7(6)2)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
KWQPWOQUXSQDNN-UHFFFAOYSA-N
Compound name
(2,3,4-trimethylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

488
Patents

216.05515 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06243 145.6
[M+Na]+ 239.04437 156.6
[M+NH4]+ 234.08897 151.7
[M+K]+ 255.01831 153.0
[M-H]- 215.04787 144.7
[M+Na-2H]- 237.02982 149.4
[M]+ 216.05460 146.6
[M]- 216.05570 146.6
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