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

9
Patents

269.06638 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.073656 155.1
[M+Na]+ 292.055598 165.7
[M-H]- 268.059104 154.6
[M+NH4]+ 287.100203 173.8
[M+K]+ 308.029538 160.1
[M+H-H2O]+ 252.063640 146.7
[M+HCOO]- 314.064581 170.3
[M+CH3COO]- 328.080231 193.5
[M+Na-2H]- 290.041046 160.2
[M]+ 269.06583142 151.5
[M]- 269.06692858 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