CID 237010

2-chloro-4h-1,3,2-benzodioxaphosphorin-4-one

Structural Information

Molecular Formula
C7H4ClO3P
SMILES
C1=CC=C2C(=C1)C(=O)OP(O2)Cl
InChI
InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H
InChIKey
BVOITXUNGDUXRW-UHFFFAOYSA-N
Compound name
2-chloro-1,3,2-benzodioxaphosphinin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1132
Patents

201.95866 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96594 136.6
[M+Na]+ 224.94788 146.7
[M-H]- 200.95138 141.6
[M+NH4]+ 219.99248 155.8
[M+K]+ 240.92182 146.0
[M+H-H2O]+ 184.95592 129.7
[M+HCOO]- 246.95686 158.3
[M+CH3COO]- 260.97251 181.9
[M+Na-2H]- 222.93333 142.9
[M]+ 201.95811 140.6
[M]- 201.95921 140.6
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