CID 129916258

4,6-difluoro-2-methyl-1h-indole

Structural Information

Molecular Formula
C9H7F2N
SMILES
CC1=CC2=C(N1)C=C(C=C2F)F
InChI
InChI=1S/C9H7F2N/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2-4,12H,1H3
InChIKey
NGCGXVUETZCPCA-UHFFFAOYSA-N
Compound name
4,6-difluoro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 132.0
[M+Na]+ 190.04388 144.8
[M+NH4]+ 185.08848 140.2
[M+K]+ 206.01782 139.6
[M-H]- 166.04738 131.4
[M+Na-2H]- 188.02933 137.7
[M]+ 167.05411 133.6
[M]- 167.05521 133.6
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