CID 5376915

73387-60-7

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CN(C)/C=C/C(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H12BrNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+
InChIKey
IGZLESKZUATMSD-BQYQJAHWSA-N
Compound name
(E)-1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

122
Patents

253.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 148.2
[M+Na]+ 275.99944 158.4
[M-H]- 252.00294 155.6
[M+NH4]+ 271.04404 169.2
[M+K]+ 291.97338 147.8
[M+H-H2O]+ 236.00748 147.4
[M+HCOO]- 298.00842 170.5
[M+CH3COO]- 312.02407 196.8
[M+Na-2H]- 273.98489 153.9
[M]+ 253.00967 167.4
[M]- 253.01077 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

literature stripe

Patent stripe

patents stripe