CID 50989724

2,2-difluorocyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H7F2N
SMILES
C1CC(C1N)(F)F
InChI
InChI=1S/C4H7F2N/c5-4(6)2-1-3(4)7/h3H,1-2,7H2
InChIKey
UHJMTZCOQFSWEC-UHFFFAOYSA-N
Compound name
2,2-difluorocyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

107.05466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.061936 117.7
[M+Na]+ 130.043878 125.1
[M-H]- 106.047384 119.0
[M+NH4]+ 125.088483 135.7
[M+K]+ 146.017818 127.1
[M+H-H2O]+ 90.051920 107.7
[M+HCOO]- 152.052861 138.7
[M+CH3COO]- 166.068511 173.0
[M+Na-2H]- 128.029326 123.8
[M]+ 107.05411142 120.6
[M]- 107.05520858 120.6
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