CID 447531

Dpi59

Structural Information

Molecular Formula
C11H11O4P
SMILES
C1=CC=C2C(=C1)C=CC=C2[C@@H](O)P(=O)(O)O
InChI
InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1
InChIKey
AXIBZLYWMBUYRV-NSHDSACASA-N
Compound name
[(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

238.03949 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04677 151.9
[M+Na]+ 261.02871 158.9
[M-H]- 237.03221 151.5
[M+NH4]+ 256.07331 168.9
[M+K]+ 277.00265 155.7
[M+H-H2O]+ 221.03675 144.4
[M+HCOO]- 283.03769 174.5
[M+CH3COO]- 297.05334 184.1
[M+Na-2H]- 259.01416 155.8
[M]+ 238.03894 151.2
[M]- 238.04004 151.2
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