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

134
Patents

215.0558 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 140.2
[M+Na]+ 238.04502 151.7
[M-H]- 214.04852 139.3
[M+NH4]+ 233.08962 160.3
[M+K]+ 254.01896 147.3
[M+H-H2O]+ 198.05306 132.3
[M+HCOO]- 260.05400 159.2
[M+CH3COO]- 274.06965 183.7
[M+Na-2H]- 236.03047 146.6
[M]+ 215.05525 138.4
[M]- 215.05635 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