CID 201376

Brn 2525442

Structural Information

Molecular Formula
C8H8ClO3P
SMILES
C1C2C1C3=C(C=C2)OP(=O)(O3)CCl
InChI
InChI=1S/C8H8ClO3P/c9-4-13(10)11-7-2-1-5-3-6(5)8(7)12-13/h1-2,5-6H,3-4H2
InChIKey
VTMIUUOVNBKLPE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,6a-dihydro-5aH-cyclopropa[g][1,3,2]benzodioxaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98996 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99724 142.3
[M+Na]+ 240.97918 155.2
[M-H]- 216.98268 149.0
[M+NH4]+ 236.02378 160.7
[M+K]+ 256.95312 153.6
[M+H-H2O]+ 200.98722 136.5
[M+HCOO]- 262.98816 162.9
[M+CH3COO]- 277.00381 187.7
[M+Na-2H]- 238.96463 148.4
[M]+ 217.98941 151.0
[M]- 217.99051 151.0
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.