CID 53404463

1260830-11-2

Structural Information

Molecular Formula
C9H8BrNO
SMILES
CC1=C(C=CC2=C1NC(=O)C2)Br
InChI
InChI=1S/C9H8BrNO/c1-5-7(10)3-2-6-4-8(12)11-9(5)6/h2-3H,4H2,1H3,(H,11,12)
InChIKey
CJLUWJSRUMAJCY-UHFFFAOYSA-N
Compound name
6-bromo-7-methyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

224.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 141.5
[M+Na]+ 247.968148 154.9
[M-H]- 223.971654 146.8
[M+NH4]+ 243.012753 164.7
[M+K]+ 263.942088 143.1
[M+H-H2O]+ 207.976190 142.3
[M+HCOO]- 269.977131 160.6
[M+CH3COO]- 283.992781 184.1
[M+Na-2H]- 245.953596 147.6
[M]+ 224.97838142 158.7
[M]- 224.97947858 158.7
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