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

13
Patents

167.05466 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.061936 127.8
[M+Na]+ 190.043878 140.3
[M-H]- 166.047384 128.5
[M+NH4]+ 185.088483 150.2
[M+K]+ 206.017818 135.6
[M+H-H2O]+ 150.051920 120.9
[M+HCOO]- 212.052861 149.7
[M+CH3COO]- 226.068511 142.4
[M+Na-2H]- 188.029326 134.0
[M]+ 167.05411142 126.4
[M]- 167.05520858 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