CID 90124459

5-bromo-6-fluoro-3,3-dimethyl-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C10H11BrFN
SMILES
CC1(CNC2=CC(=C(C=C21)Br)F)C
InChI
InChI=1S/C10H11BrFN/c1-10(2)5-13-9-4-8(12)7(11)3-6(9)10/h3-4,13H,5H2,1-2H3
InChIKey
PPWICWHPMCJDID-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.00589 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.013166 146.4
[M+Na]+ 265.995108 160.3
[M-H]- 241.998614 150.6
[M+NH4]+ 261.039713 171.0
[M+K]+ 281.969048 147.9
[M+H-H2O]+ 226.003150 147.0
[M+HCOO]- 288.004091 163.9
[M+CH3COO]- 302.019741 161.4
[M+Na-2H]- 263.980556 152.5
[M]+ 243.00534142 162.7
[M]- 243.00643858 162.7
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