CID 67906

Pentafluoropropionitrile

Structural Information

Molecular Formula
C3F5N
SMILES
C(#N)C(C(F)(F)F)(F)F
InChI
InChI=1S/C3F5N/c4-2(5,1-9)3(6,7)8
InChIKey
MTLOQUGSPBVZEO-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

992
Patents

144.99509 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00237 115.3
[M+Na]+ 167.98431 125.7
[M-H]- 143.98781 110.8
[M+NH4]+ 163.02891 134.4
[M+K]+ 183.95825 125.5
[M+H-H2O]+ 127.99235 101.7
[M+HCOO]- 189.99329 129.1
[M+CH3COO]- 204.00894 186.8
[M+Na-2H]- 165.96976 122.3
[M]+ 144.99454 103.6
[M]- 144.99564 103.6
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