CID 12052796

5-bromo-3,3-dimethyl-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC1(C2=C(C=CC(=C2)Br)NC1=O)C
InChI
InChI=1S/C10H10BrNO/c1-10(2)7-5-6(11)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKey
YCHSJOIHTKPUCQ-UHFFFAOYSA-N
Compound name
5-bromo-3,3-dimethyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

238.99458 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 143.8
[M+Na]+ 261.98380 157.8
[M-H]- 237.98730 149.4
[M+NH4]+ 257.02840 168.5
[M+K]+ 277.95774 145.8
[M+H-H2O]+ 221.99184 145.3
[M+HCOO]- 283.99278 162.7
[M+CH3COO]- 298.00843 186.5
[M+Na-2H]- 259.96925 150.7
[M]+ 238.99403 161.9
[M]- 238.99513 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

patents stripe