CID 163198533

6-bromo-2,2-dimethylindolin-3-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC1(C(=O)C2=C(N1)C=C(C=C2)Br)C
InChI
InChI=1S/C10H10BrNO/c1-10(2)9(13)7-4-3-6(11)5-8(7)12-10/h3-5,12H,1-2H3
InChIKey
ZDRXXZODMQCMEA-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dimethyl-1H-indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.99458 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.001856 143.8
[M+Na]+ 261.983798 157.8
[M-H]- 237.987304 149.4
[M+NH4]+ 257.028403 168.5
[M+K]+ 277.957738 145.8
[M+H-H2O]+ 221.991840 145.3
[M+HCOO]- 283.992781 162.7
[M+CH3COO]- 298.008431 186.5
[M+Na-2H]- 259.969246 150.7
[M]+ 238.99403142 161.9
[M]- 238.99512858 161.9
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.