CID 72206829

1030606-42-8

Structural Information

Molecular Formula
C12H8F7N
SMILES
CC1=C(NC2=CC=CC=C12)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F7N/c1-6-7-4-2-3-5-8(7)20-9(6)10(13,14)11(15,16)12(17,18)19/h2-5,20H,1H3
InChIKey
FMUNPDCTOUKDBU-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.0545 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06178 158.9
[M+Na]+ 322.04372 170.4
[M-H]- 298.04722 153.0
[M+NH4]+ 317.08832 175.2
[M+K]+ 338.01766 164.3
[M+H-H2O]+ 282.05176 148.1
[M+HCOO]- 344.05270 169.2
[M+CH3COO]- 358.06835 200.3
[M+Na-2H]- 320.02917 163.4
[M]+ 299.05395 150.0
[M]- 299.05505 150.0
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.