CID 75176260

5-bromo-3-iodo-6-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H4BrF3IN
SMILES
C1=C2C(=CC(=C1Br)C(F)(F)F)NC=C2I
InChI
InChI=1S/C9H4BrF3IN/c10-6-1-4-7(14)3-15-8(4)2-5(6)9(11,12)13/h1-3,15H
InChIKey
IOLMLBNUXBFHMS-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-6-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.8524 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.85968 156.6
[M+Na]+ 411.84162 165.0
[M-H]- 387.84512 152.2
[M+NH4]+ 406.88622 173.0
[M+K]+ 427.81556 157.7
[M+H-H2O]+ 371.84966 151.6
[M+HCOO]- 433.85060 168.8
[M+CH3COO]- 447.86625 200.1
[M+Na-2H]- 409.82707 151.9
[M]+ 388.85185 168.8
[M]- 388.85295 168.8
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

No patent data available for this compound.