CID 11819135

89866-61-5

Structural Information

Molecular Formula
C5H6F3N
SMILES
C(CC#N)CC(F)(F)F
InChI
InChI=1S/C5H6F3N/c6-5(7,8)3-1-2-4-9/h1-3H2
InChIKey
JUBKTXQLCVDDLL-UHFFFAOYSA-N
Compound name
5,5,5-trifluoropentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

137.04523 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05251 118.8
[M+Na]+ 160.03445 128.4
[M-H]- 136.03795 116.2
[M+NH4]+ 155.07905 138.5
[M+K]+ 176.00839 127.8
[M+H-H2O]+ 120.04249 106.1
[M+HCOO]- 182.04343 135.4
[M+CH3COO]- 196.05908 186.6
[M+Na-2H]- 158.01990 125.4
[M]+ 137.04468 110.8
[M]- 137.04578 110.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe