CID 65118

4-methylumbelliferyl phosphate

Structural Information

Molecular Formula
C10H9O6P
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O
InChI
InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

90
References

8805
Patents

256.01367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02095 150.9
[M+Na]+ 279.00289 160.8
[M-H]- 255.00639 153.4
[M+NH4]+ 274.04749 167.0
[M+K]+ 294.97683 160.1
[M+H-H2O]+ 239.01093 143.0
[M+HCOO]- 301.01187 176.0
[M+CH3COO]- 315.02752 189.0
[M+Na-2H]- 276.98834 157.0
[M]+ 256.01312 155.8
[M]- 256.01422 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe