CID 729234

1135279-92-3

Structural Information

Molecular Formula
C12H13F3N2O
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CCN
InChI
InChI=1S/C12H13F3N2O/c1-7-9(4-5-16)10-6-8(18-12(13,14)15)2-3-11(10)17-7/h2-3,6,17H,4-5,16H2,1H3
InChIKey
DPXCGYZETKLAHZ-UHFFFAOYSA-N
Compound name
2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.098 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10528 153.7
[M+Na]+ 281.08722 164.3
[M-H]- 257.09072 152.2
[M+NH4]+ 276.13182 171.7
[M+K]+ 297.06116 159.0
[M+H-H2O]+ 241.09526 145.2
[M+HCOO]- 303.09620 172.3
[M+CH3COO]- 317.11185 195.2
[M+Na-2H]- 279.07267 157.8
[M]+ 258.09745 151.2
[M]- 258.09855 151.2
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.