CID 10129896

2-fluoro-2-methylpropanenitrile

Structural Information

Molecular Formula
C4H6FN
SMILES
CC(C)(C#N)F
InChI
InChI=1S/C4H6FN/c1-4(2,5)3-6/h1-2H3
InChIKey
REBAWHWWWIHOCJ-UHFFFAOYSA-N
Compound name
2-fluoro-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

483
Patents

87.04842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.055696 113.1
[M+Na]+ 110.03764 123.2
[M-H]- 86.041144 113.4
[M+NH4]+ 105.08224 134.8
[M+K]+ 126.01158 123.4
[M+H-H2O]+ 70.045680 102.4
[M+HCOO]- 132.04662 131.8
[M+CH3COO]- 146.06227 179.4
[M+Na-2H]- 108.02309 121.1
[M]+ 87.047871 107.2
[M]- 87.048969 107.2
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