CID 54676905

Lfm-a13

Structural Information

Molecular Formula
C11H8Br2N2O2
SMILES
C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O
InChI
InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-
InChIKey
UVSVTDVJQAJIFG-VURMDHGXSA-N
Compound name
(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

74
References

3232
Patents

357.89526 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.90254 150.8
[M+Na]+ 380.88448 161.2
[M-H]- 356.88798 153.3
[M+NH4]+ 375.92908 164.9
[M+K]+ 396.85842 144.7
[M+H-H2O]+ 340.89252 150.6
[M+HCOO]- 402.89346 165.5
[M+CH3COO]- 416.90911 219.6
[M+Na-2H]- 378.86993 153.6
[M]+ 357.89471 175.2
[M]- 357.89581 175.2
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