CID 9574708

1-(2meoph)-3-tribr-pr-dione, oxime

Structural Information

Molecular Formula
C10H8Br3NO3
SMILES
COC1=CC=CC=C1/C(=N\O)/C(=O)C(Br)(Br)Br
InChI
InChI=1S/C10H8Br3NO3/c1-17-7-5-3-2-4-6(7)8(14-16)9(15)10(11,12)13/h2-5,16H,1H3/b14-8+
InChIKey
AVQVJFJKDYEBGP-RIYZIHGNSA-N
Compound name
(3E)-1,1,1-tribromo-3-hydroxyimino-3-(2-methoxyphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.80542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.81270 158.6
[M+Na]+ 449.79464 164.8
[M-H]- 425.79814 163.5
[M+NH4]+ 444.83924 171.1
[M+K]+ 465.76858 149.3
[M+H-H2O]+ 409.80268 171.7
[M+HCOO]- 471.80362 167.4
[M+CH3COO]- 485.81927 226.5
[M+Na-2H]- 447.78009 162.2
[M]+ 426.80487 199.1
[M]- 426.80597 199.1
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

No patent data available for this compound.