CID 258932

Nsc88395

Structural Information

Molecular Formula
C12H9Cl2N2OP
SMILES
C1=CC=C(C=C1)P2(=O)NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C12H9Cl2N2OP/c13-9-6-11-12(7-10(9)14)16-18(17,15-11)8-4-2-1-3-5-8/h1-7H,(H2,15,16,17)
InChIKey
HEYUBNSGYJVYCL-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-phenyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.98294 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99022 159.2
[M+Na]+ 320.97216 170.4
[M-H]- 296.97566 160.4
[M+NH4]+ 316.01676 177.1
[M+K]+ 336.94610 162.1
[M+H-H2O]+ 280.98020 150.5
[M+HCOO]- 342.98114 173.3
[M+CH3COO]- 356.99679 170.4
[M+Na-2H]- 318.95761 160.3
[M]+ 297.98239 159.2
[M]- 297.98349 159.2
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.