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

literature stripe

Patent stripe

patents stripe