CID 13082391

86770-80-1

Structural Information

Molecular Formula
C5H5F2N
SMILES
C1C(CC1(F)F)C#N
InChI
InChI=1S/C5H5F2N/c6-5(7)1-4(2-5)3-8/h4H,1-2H2
InChIKey
RCXLAPBURAMYKG-UHFFFAOYSA-N
Compound name
3,3-difluorocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

117.03901 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04629 111.0
[M+Na]+ 140.02823 120.6
[M-H]- 116.03173 113.2
[M+NH4]+ 135.07283 127.6
[M+K]+ 156.00217 122.8
[M+H-H2O]+ 100.03627 95.9
[M+HCOO]- 162.03721 128.7
[M+CH3COO]- 176.05286 186.2
[M+Na-2H]- 138.01368 118.2
[M]+ 117.03846 111.0
[M]- 117.03956 111.0
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