CID 10822552

5-methoxy-6-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula
C10H8F3NO
SMILES
COC1=C(C=C2C(=C1)C=CN2)C(F)(F)F
InChI
InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
InChIKey
KNMAZUXTEPXPOM-UHFFFAOYSA-N
Compound name
5-methoxy-6-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

215.0558 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe