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]+ 244.01317 146.4
[M+Na]+ 265.99511 160.3
[M-H]- 241.99861 150.6
[M+NH4]+ 261.03971 171.0
[M+K]+ 281.96905 147.9
[M+H-H2O]+ 226.00315 147.0
[M+HCOO]- 288.00409 163.9
[M+CH3COO]- 302.01974 161.4
[M+Na-2H]- 263.98056 152.5
[M]+ 243.00534 162.7
[M]- 243.00644 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