CID 11289725

184643-69-4

Structural Information

Molecular Formula
C7H5BrCl3NO
SMILES
CN1C=C(C=C1C(=O)C(Cl)(Cl)Cl)Br
InChI
InChI=1S/C7H5BrCl3NO/c1-12-3-4(8)2-5(12)6(13)7(9,10)11/h2-3H,1H3
InChIKey
HUKQFKKFOGVZGH-UHFFFAOYSA-N
Compound name
1-(4-bromo-1-methylpyrrol-2-yl)-2,2,2-trichloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

302.862 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.86928 157.8
[M+Na]+ 325.85122 161.8
[M+NH4]+ 320.89582 162.3
[M+K]+ 341.82516 162.2
[M-H]- 301.85472 156.2
[M+Na-2H]- 323.83667 159.4
[M]+ 302.86145 157.5
[M]- 302.86255 157.5
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