CID 10704410

1803611-39-3

Structural Information

Molecular Formula
C10H12BrN
SMILES
CC1(CNC2=C1C=CC(=C2)Br)C
InChI
InChI=1S/C10H12BrN/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,12H,6H2,1-2H3
InChIKey
JSMUHVSOFKGJID-UHFFFAOYSA-N
Compound name
6-bromo-3,3-dimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

225.0153 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 146.7
[M+Na]+ 248.00452 149.8
[M+NH4]+ 243.04912 153.7
[M+K]+ 263.97846 148.7
[M-H]- 224.00802 147.1
[M+Na-2H]- 245.98997 150.0
[M]+ 225.01475 146.2
[M]- 225.01585 146.2
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