CID 165911460

Methyl 1-amino-2,2-difluorocyclopropane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C5H7F2NO2
SMILES
COC(=O)C1(CC1(F)F)N
InChI
InChI=1S/C5H7F2NO2/c1-10-3(9)4(8)2-5(4,6)7/h2,8H2,1H3
InChIKey
PLUNUUHSAURQEZ-UHFFFAOYSA-N
Compound name
methyl 1-amino-2,2-difluorocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.04448 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05176 123.3
[M+Na]+ 174.03370 134.4
[M-H]- 150.03720 126.1
[M+NH4]+ 169.07830 143.1
[M+K]+ 190.00764 134.0
[M+H-H2O]+ 134.04174 118.9
[M+HCOO]- 196.04268 145.0
[M+CH3COO]- 210.05833 179.4
[M+Na-2H]- 172.01915 130.2
[M]+ 151.04393 124.3
[M]- 151.04503 124.3
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