CID 2775642

175276-72-9

Structural Information

Molecular Formula
C9H6F3NO2
SMILES
CC1=CC(=C(O1)C(F)(F)F)C(=O)CC#N
InChI
InChI=1S/C9H6F3NO2/c1-5-4-6(7(14)2-3-13)8(15-5)9(10,11)12/h4H,2H2,1H3
InChIKey
FJIIDKSIRKJEOJ-UHFFFAOYSA-N
Compound name
3-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

217.03506 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.042336 137.7
[M+Na]+ 240.024278 149.0
[M-H]- 216.027784 138.3
[M+NH4]+ 235.068883 154.9
[M+K]+ 255.998218 147.5
[M+H-H2O]+ 200.032320 123.9
[M+HCOO]- 262.033261 153.9
[M+CH3COO]- 276.048911 198.4
[M+Na-2H]- 238.009726 141.2
[M]+ 217.03451142 131.9
[M]- 217.03560858 131.9
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.