CID 50989629

1-amino-3,3-difluorocyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H7F2NO2
SMILES
C1C(CC1(F)F)(C(=O)O)N
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-4(8,2-5)3(9)10/h1-2,8H2,(H,9,10)
InChIKey
KSCVQJSNYDFHOT-UHFFFAOYSA-N
Compound name
1-amino-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

151.04448 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05176 130.8
[M+Na]+ 174.03370 137.8
[M-H]- 150.03720 130.8
[M+NH4]+ 169.07830 147.9
[M+K]+ 190.00764 139.6
[M+H-H2O]+ 134.04174 121.7
[M+HCOO]- 196.04268 149.3
[M+CH3COO]- 210.05833 177.1
[M+Na-2H]- 172.01915 135.4
[M]+ 151.04393 133.9
[M]- 151.04503 133.9
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