CID 116619629

5-bromo-1-(difluoromethyl)-1h-indole

Structural Information

Molecular Formula
C9H6BrF2N
SMILES
C1=CC2=C(C=CN2C(F)F)C=C1Br
InChI
InChI=1S/C9H6BrF2N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H
InChIKey
RAYNMWDBGPEOCC-UHFFFAOYSA-N
Compound name
5-bromo-1-(difluoromethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.96516 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97244 144.1
[M+Na]+ 267.95438 158.6
[M-H]- 243.95788 148.5
[M+NH4]+ 262.99898 167.1
[M+K]+ 283.92832 147.0
[M+H-H2O]+ 227.96242 142.9
[M+HCOO]- 289.96336 164.1
[M+CH3COO]- 303.97901 159.6
[M+Na-2H]- 265.93983 150.7
[M]+ 244.96461 162.1
[M]- 244.96571 162.1
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.