CID 936157

843638-48-2

Structural Information

Molecular Formula
C11H9BrClNO
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Br)C(=O)CCl
InChI
InChI=1S/C11H9BrClNO/c1-6-11(10(15)5-13)8-4-7(12)2-3-9(8)14-6/h2-4,14H,5H2,1H3
InChIKey
UEKKCSKGZHODTR-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methyl-1H-indol-3-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.9556 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.96288 153.3
[M+Na]+ 307.94482 168.4
[M-H]- 283.94832 158.8
[M+NH4]+ 302.98942 175.2
[M+K]+ 323.91876 154.3
[M+H-H2O]+ 267.95286 154.3
[M+HCOO]- 329.95380 169.1
[M+CH3COO]- 343.96945 193.5
[M+Na-2H]- 305.93027 158.7
[M]+ 284.95505 175.1
[M]- 284.95615 175.1
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

No patent data available for this compound.