CID 22500951

Pk34ls7dp2

Structural Information

Molecular Formula
C4H7F2N
SMILES
C1C(CC1(F)F)N
InChI
InChI=1S/C4H7F2N/c5-4(6)1-3(7)2-4/h3H,1-2,7H2
InChIKey
RKATWUBDSJHPEV-UHFFFAOYSA-N
Compound name
3,3-difluorocyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1865
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

literature stripe

Patent stripe

patents stripe