CID 12180669

2-methyl-6-(trifluoromethoxy)-1h-indole

Structural Information

Molecular Formula
C10H8F3NO
SMILES
CC1=CC2=C(N1)C=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C10H8F3NO/c1-6-4-7-2-3-8(5-9(7)14-6)15-10(11,12)13/h2-5,14H,1H3
InChIKey
RRLOHUDUPRNMML-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

215.0558 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.063076 140.2
[M+Na]+ 238.045018 151.7
[M-H]- 214.048524 139.3
[M+NH4]+ 233.089623 160.3
[M+K]+ 254.018958 147.3
[M+H-H2O]+ 198.053060 132.3
[M+HCOO]- 260.054001 159.2
[M+CH3COO]- 274.069651 183.7
[M+Na-2H]- 236.030466 146.6
[M]+ 215.05525142 138.4
[M]- 215.05634858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe