CID 90069188

3,3-difluoro-1-methylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H7F2N
SMILES
CC1(CC(C1)(F)F)C#N
InChI
InChI=1S/C6H7F2N/c1-5(4-9)2-6(7,8)3-5/h2-3H2,1H3
InChIKey
LWXRSDZKQMSNIF-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-methylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

131.05466 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06194 116.3
[M+Na]+ 154.04388 126.7
[M-H]- 130.04738 118.9
[M+NH4]+ 149.08848 134.3
[M+K]+ 170.01782 128.0
[M+H-H2O]+ 114.05192 102.3
[M+HCOO]- 176.05286 133.8
[M+CH3COO]- 190.06851 188.7
[M+Na-2H]- 152.02933 124.0
[M]+ 131.05411 117.0
[M]- 131.05521 117.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe