CID 137838623

2-methyl-4-(trifluoromethyl)furan-3-carbonitrile

Structural Information

Molecular Formula
C7H4F3NO
SMILES
CC1=C(C(=CO1)C(F)(F)F)C#N
InChI
InChI=1S/C7H4F3NO/c1-4-5(2-11)6(3-12-4)7(8,9)10/h3H,1H3
InChIKey
SWUZLYTXJFPURQ-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)furan-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0245 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.031776 126.0
[M+Na]+ 198.013718 138.1
[M-H]- 174.017224 126.8
[M+NH4]+ 193.058323 145.0
[M+K]+ 213.987658 136.8
[M+H-H2O]+ 158.021760 112.6
[M+HCOO]- 220.022701 143.4
[M+CH3COO]- 234.038351 191.3
[M+Na-2H]- 195.999166 131.6
[M]+ 175.02395142 119.5
[M]- 175.02504858 119.5
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

No patent data available for this compound.