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]+ 176.03178 126.0
[M+Na]+ 198.01372 138.1
[M-H]- 174.01722 126.8
[M+NH4]+ 193.05832 145.0
[M+K]+ 213.98766 136.8
[M+H-H2O]+ 158.02176 112.6
[M+HCOO]- 220.02270 143.4
[M+CH3COO]- 234.03835 191.3
[M+Na-2H]- 195.99917 131.6
[M]+ 175.02395 119.5
[M]- 175.02505 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.