CID 57575579

893410-19-0

Structural Information

Molecular Formula
C13H10F3NO2
SMILES
C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C13H10F3NO2/c14-13(15,16)19-7-4-5-10-9(6-7)8-2-1-3-11(18)12(8)17-10/h4-6,17H,1-3H2
InChIKey
SWNIILXZKOZGEO-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)-2,3,4,9-tetrahydrocarbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

269.06638 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07366 155.1
[M+Na]+ 292.05560 165.7
[M-H]- 268.05910 154.6
[M+NH4]+ 287.10020 173.8
[M+K]+ 308.02954 160.1
[M+H-H2O]+ 252.06364 146.7
[M+HCOO]- 314.06458 170.3
[M+CH3COO]- 328.08023 193.5
[M+Na-2H]- 290.04105 160.2
[M]+ 269.06583 151.5
[M]- 269.06693 151.5
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