CID 11521349

5-bromo-4-fluoro-1h-indole

Structural Information

Molecular Formula
C8H5BrFN
SMILES
C1=CC(=C(C2=C1NC=C2)F)Br
InChI
InChI=1S/C8H5BrFN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H
InChIKey
OBGNVOLKFFCMAM-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

212.95894 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.966216 135.5
[M+Na]+ 235.948158 150.4
[M-H]- 211.951664 140.1
[M+NH4]+ 230.992763 159.3
[M+K]+ 251.922098 138.1
[M+H-H2O]+ 195.956200 135.7
[M+HCOO]- 257.957141 156.5
[M+CH3COO]- 271.972791 151.7
[M+Na-2H]- 233.933606 144.2
[M]+ 212.95839142 153.2
[M]- 212.95948858 153.2
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