CID 67808

Heptafluorobutyronitrile

Structural Information

Molecular Formula
C4F7N
SMILES
C(#N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4F7N/c5-2(6,1-12)3(7,8)4(9,10)11
InChIKey
BOZRBIJGLJJPRF-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

545
Patents

194.9919 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99918 124.3
[M+Na]+ 217.98112 134.3
[M-H]- 193.98462 117.4
[M+NH4]+ 213.02572 141.2
[M+K]+ 233.95506 134.0
[M+H-H2O]+ 177.98916 109.3
[M+HCOO]- 239.99010 134.5
[M+CH3COO]- 254.00575 195.4
[M+Na-2H]- 215.96657 130.3
[M]+ 194.99135 109.8
[M]- 194.99245 109.8
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