CID 612102

Dibenzo[d,f][1,3,2]dioxaphosphepin, 6-chloro-

Structural Information

Molecular Formula
C12H8ClO2P
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3OP(O2)Cl
InChI
InChI=1S/C12H8ClO2P/c13-16-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H
InChIKey
RKNWJMHQLOIGIH-UHFFFAOYSA-N
Compound name
6-chlorobenzo[d][1,3,2]benzodioxaphosphepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

350
Patents

249.99504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00232 148.6
[M+Na]+ 272.98426 160.3
[M-H]- 248.98776 156.1
[M+NH4]+ 268.02886 166.3
[M+K]+ 288.95820 161.5
[M+H-H2O]+ 232.99230 142.5
[M+HCOO]- 294.99324 171.7
[M+CH3COO]- 309.00889 162.9
[M+Na-2H]- 270.96971 157.1
[M]+ 249.99449 153.1
[M]- 249.99559 153.1
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