CID 84038216

6-bromo-2-(trifluoromethyl)-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C9H7BrF3N
SMILES
C1C(NC2=C1C=CC(=C2)Br)C(F)(F)F
InChI
InChI=1S/C9H7BrF3N/c10-6-2-1-5-3-8(9(11,12)13)14-7(5)4-6/h1-2,4,8,14H,3H2
InChIKey
OOWKRVRVCZKHAE-UHFFFAOYSA-N
Compound name
6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.9714 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.97868 153.8
[M+Na]+ 287.96062 166.7
[M-H]- 263.96412 155.1
[M+NH4]+ 283.00522 175.2
[M+K]+ 303.93456 154.0
[M+H-H2O]+ 247.96866 152.3
[M+HCOO]- 309.96960 168.0
[M+CH3COO]- 323.98525 189.3
[M+Na-2H]- 285.94607 158.9
[M]+ 264.97085 166.1
[M]- 264.97195 166.1
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

No patent data available for this compound.