CID 6510251

Bis(1-methylethyl) (bromo(hydroxyimino)methyl)phosphonate

Structural Information

Molecular Formula
C7H15BrNO4P
SMILES
CC(C)OP(=O)(/C(=N\O)/Br)OC(C)C
InChI
InChI=1S/C7H15BrNO4P/c1-5(2)12-14(11,7(8)9-10)13-6(3)4/h5-6,10H,1-4H3/b9-7-
InChIKey
LMDGVGBVUJRLPI-CLFYSBASSA-N
Compound name
(1E)-1-di(propan-2-yloxy)phosphoryl-N-hydroxymethanimidoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.99222 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.99950 164.7
[M+Na]+ 309.98144 173.6
[M-H]- 285.98494 166.4
[M+NH4]+ 305.02604 183.9
[M+K]+ 325.95538 164.7
[M+H-H2O]+ 269.98948 161.8
[M+HCOO]- 331.99042 187.8
[M+CH3COO]- 346.00607 199.7
[M+Na-2H]- 307.96689 165.5
[M]+ 286.99167 186.6
[M]- 286.99277 186.6
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.