CID 68281531

5,6-difluoro-2-methyl-1h-indole

Structural Information

Molecular Formula
C9H7F2N
SMILES
CC1=CC2=CC(=C(C=C2N1)F)F
InChI
InChI=1S/C9H7F2N/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4,12H,1H3
InChIKey
MJFPTLSTSBWDAS-UHFFFAOYSA-N
Compound name
5,6-difluoro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.05466 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06194 127.8
[M+Na]+ 190.04388 140.3
[M-H]- 166.04738 128.5
[M+NH4]+ 185.08848 150.2
[M+K]+ 206.01782 135.6
[M+H-H2O]+ 150.05192 120.9
[M+HCOO]- 212.05286 149.7
[M+CH3COO]- 226.06851 142.4
[M+Na-2H]- 188.02933 134.0
[M]+ 167.05411 126.4
[M]- 167.05521 126.4
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