CID 2115

1-naphthyl phosphate

Structural Information

Molecular Formula
C10H9O4P
SMILES
C1=CC=C2C(=C1)C=CC=C2OP(=O)(O)O
InChI
InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChIKey
YNXICDMQCQPQEW-UHFFFAOYSA-N
Compound name
naphthalen-1-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

111
References

3615
Patents

224.02385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03113 146.5
[M+Na]+ 247.01307 154.6
[M-H]- 223.01657 147.6
[M+NH4]+ 242.05767 164.8
[M+K]+ 262.98701 152.0
[M+H-H2O]+ 207.02111 138.8
[M+HCOO]- 269.02205 172.0
[M+CH3COO]- 283.03770 182.6
[M+Na-2H]- 244.99852 152.6
[M]+ 224.02330 147.9
[M]- 224.02440 147.9
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