CID 3016069

Omti [russian]

Structural Information

Molecular Formula
C8H11O4P
SMILES
CC1=CC(=CC(=C1)OP(=O)(O)O)C
InChI
InChI=1S/C8H11O4P/c1-6-3-7(2)5-8(4-6)12-13(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
AFQJYYPIAZDTHT-UHFFFAOYSA-N
Compound name
(3,5-dimethylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

202.03949 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04677 142.3
[M+Na]+ 225.02871 151.0
[M-H]- 201.03221 142.9
[M+NH4]+ 220.07331 161.0
[M+K]+ 241.00265 149.4
[M+H-H2O]+ 185.03675 135.3
[M+HCOO]- 247.03769 168.7
[M+CH3COO]- 261.05334 180.1
[M+Na-2H]- 223.01416 145.7
[M]+ 202.03894 144.8
[M]- 202.04004 144.8
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