CID 26292

3318-43-2

Structural Information

Molecular Formula
C8H8NO4P
SMILES
C1=CC=C2C(=C1)C(=CN2)OP(=O)(O)O
InChI
InChI=1S/C8H8NO4P/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H2,10,11,12)
InChIKey
JTNGEYANGCBZLK-UHFFFAOYSA-N
Compound name
1H-indol-3-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1205
Patents

213.01909 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02637 143.1
[M+Na]+ 236.00831 152.2
[M-H]- 212.01181 141.9
[M+NH4]+ 231.05291 161.6
[M+K]+ 251.98225 149.1
[M+H-H2O]+ 196.01635 135.5
[M+HCOO]- 258.01729 168.5
[M+CH3COO]- 272.03294 176.4
[M+Na-2H]- 233.99376 148.3
[M]+ 213.01854 144.3
[M]- 213.01964 144.3
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