CID 451462

74270-28-3

Structural Information

Molecular Formula
C10H11O5P
SMILES
C1CC2=C(C1)C=C(C=C2)OP(=O)(C(=O)O)O
InChI
InChI=1S/C10H11O5P/c11-10(12)16(13,14)15-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,11,12)(H,13,14)
InChIKey
FCEYNDZHHCDFGQ-UHFFFAOYSA-N
Compound name
[2,3-dihydro-1H-inden-5-yloxy(hydroxy)phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

242.03441 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04169 150.5
[M+Na]+ 265.02363 157.2
[M-H]- 241.02713 151.2
[M+NH4]+ 260.06823 169.6
[M+K]+ 280.99757 155.5
[M+H-H2O]+ 225.03167 143.6
[M+HCOO]- 287.03261 174.6
[M+CH3COO]- 301.04826 184.9
[M+Na-2H]- 263.00908 152.8
[M]+ 242.03386 151.3
[M]- 242.03496 151.3
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.