CID 84766756

2-[4-(trifluoromethyl)furan-2-yl]acetonitrile

Structural Information

Molecular Formula
C7H4F3NO
SMILES
C1=C(OC=C1C(F)(F)F)CC#N
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1H2
InChIKey
PRIIHSNDTCPETH-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)furan-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.031776 126.5
[M+Na]+ 198.013718 137.9
[M-H]- 174.017224 126.9
[M+NH4]+ 193.058323 145.2
[M+K]+ 213.987658 136.4
[M+H-H2O]+ 158.021760 112.8
[M+HCOO]- 220.022701 143.9
[M+CH3COO]- 234.038351 190.3
[M+Na-2H]- 195.999166 132.7
[M]+ 175.02395142 119.7
[M]- 175.02504858 119.7
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.