CID 12633773

2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

876
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 124.6
[M+Na]+ 217.98112 134.7
[M-H]- 193.98462 117.7
[M+NH4]+ 213.02572 141.5
[M+K]+ 233.95506 134.3
[M+H-H2O]+ 177.98916 109.6
[M+HCOO]- 239.99010 134.8
[M+CH3COO]- 254.00575 194.8
[M+Na-2H]- 215.96657 130.5
[M]+ 194.99135 109.9
[M]- 194.99245 109.9
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