CID 5714072

1203648-40-1

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CN(C)/C=C/C(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C11H12BrNO/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9/h3-8H,1-2H3/b7-6+
InChIKey
FBICCVMQKCGCST-VOTSOKGWSA-N
Compound name
(E)-1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

253.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 148.2
[M+Na]+ 275.999438 158.4
[M-H]- 252.002944 155.6
[M+NH4]+ 271.044043 169.2
[M+K]+ 291.973378 147.8
[M+H-H2O]+ 236.007480 147.4
[M+HCOO]- 298.008421 170.5
[M+CH3COO]- 312.024071 196.8
[M+Na-2H]- 273.984886 153.9
[M]+ 253.00967142 167.4
[M]- 253.01076858 167.4
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

patents stripe