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

628
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 146.2
[M+Na]+ 239.04437 155.4
[M-H]- 215.04787 147.0
[M+NH4]+ 234.08897 164.7
[M+K]+ 255.01831 153.7
[M+H-H2O]+ 199.05241 139.3
[M+HCOO]- 261.05335 172.3
[M+CH3COO]- 275.06900 184.4
[M+Na-2H]- 237.02982 148.5
[M]+ 216.05460 149.5
[M]- 216.05570 149.5
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