CID 22308781

7-bromo-4,5-difluoro-1h-indole

Structural Information

Molecular Formula
C8H4BrF2N
SMILES
C1=CNC2=C(C=C(C(=C21)F)F)Br
InChI
InChI=1S/C8H4BrF2N/c9-5-3-6(10)7(11)4-1-2-12-8(4)5/h1-3,12H
InChIKey
PTDVLYWVIHHMMC-UHFFFAOYSA-N
Compound name
7-bromo-4,5-difluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.94952 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95680 139.0
[M+Na]+ 253.93874 154.6
[M-H]- 229.94224 142.5
[M+NH4]+ 248.98334 162.2
[M+K]+ 269.91268 141.9
[M+H-H2O]+ 213.94678 138.3
[M+HCOO]- 275.94772 158.8
[M+CH3COO]- 289.96337 154.7
[M+Na-2H]- 251.92419 146.2
[M]+ 230.94897 155.8
[M]- 230.95007 155.8
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