CID 380885

Nsc666669

Structural Information

Molecular Formula
C11H13O2P
SMILES
CC(=C=CP(=O)(C1=CC=CC=C1)O)C
InChI
InChI=1S/C11H13O2P/c1-10(2)8-9-14(12,13)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,12,13)
InChIKey
VGXOLLDHRZHIIF-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07260 148.6
[M+Na]+ 231.05454 155.4
[M-H]- 207.05804 149.6
[M+NH4]+ 226.09914 167.4
[M+K]+ 247.02848 152.1
[M+H-H2O]+ 191.06258 141.2
[M+HCOO]- 253.06352 174.6
[M+CH3COO]- 267.07917 182.7
[M+Na-2H]- 229.03999 150.8
[M]+ 208.06477 148.3
[M]- 208.06587 148.3
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.