CID 89816

6h-dibenz[c,e][1,2]oxaphosphorin, 6-chloro-

Structural Information

Molecular Formula
C12H8ClOP
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(O2)Cl
InChI
InChI=1S/C12H8ClOP/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H
InChIKey
UBEUAZASIHVFOB-UHFFFAOYSA-N
Compound name
6-chlorobenzo[c][2,1]benzoxaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

298
Patents

234.00012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00740 147.2
[M+Na]+ 256.98934 157.3
[M-H]- 232.99284 152.2
[M+NH4]+ 252.03394 167.4
[M+K]+ 272.96328 153.1
[M+H-H2O]+ 216.99738 139.2
[M+HCOO]- 278.99832 168.7
[M+CH3COO]- 293.01397 160.7
[M+Na-2H]- 254.97479 153.4
[M]+ 233.99957 150.1
[M]- 234.00067 150.1
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