CID 15355930

1-(fluoromethyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H6FN
SMILES
C1CC1(CF)C#N
InChI
InChI=1S/C5H6FN/c6-3-5(4-7)1-2-5/h1-3H2
InChIKey
ALHNBDWEAZFPCF-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

99.04842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05570 111.5
[M+Na]+ 122.03764 127.6
[M-H]- 98.041144 117.3
[M+NH4]+ 117.08224 131.6
[M+K]+ 138.01158 123.3
[M+H-H2O]+ 82.045680 102.9
[M+HCOO]- 144.04662 133.2
[M+CH3COO]- 158.06227 183.4
[M+Na-2H]- 120.02309 121.9
[M]+ 99.047871 109.8
[M]- 99.048969 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