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

44
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 143.3
[M+Na]+ 248.00452 156.3
[M-H]- 224.00802 148.5
[M+NH4]+ 243.04912 168.4
[M+K]+ 263.97846 144.4
[M+H-H2O]+ 208.01256 144.6
[M+HCOO]- 270.01350 161.9
[M+CH3COO]- 284.02915 158.5
[M+Na-2H]- 245.98997 150.6
[M]+ 225.01475 160.3
[M]- 225.01585 160.3
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