CID 3852879

7-bromo-5-fluoro-1h-indole

Structural Information

Molecular Formula
C8H5BrFN
SMILES
C1=CNC2=C(C=C(C=C21)F)Br
InChI
InChI=1S/C8H5BrFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H
InChIKey
XOMFQRPHXMTJSG-UHFFFAOYSA-N
Compound name
7-bromo-5-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

212.95894 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96622 135.5
[M+Na]+ 235.94816 150.4
[M-H]- 211.95166 140.1
[M+NH4]+ 230.99276 159.3
[M+K]+ 251.92210 138.1
[M+H-H2O]+ 195.95620 135.7
[M+HCOO]- 257.95714 156.5
[M+CH3COO]- 271.97279 151.7
[M+Na-2H]- 233.93361 144.2
[M]+ 212.95839 153.2
[M]- 212.95949 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