CID 170909886

Tert-butyl n-(2,2-difluoro-1-formylcyclopropyl)carbamate

Structural Information

Molecular Formula
C9H13F2NO3
SMILES
CC(C)(C)OC(=O)NC1(CC1(F)F)C=O
InChI
InChI=1S/C9H13F2NO3/c1-7(2,3)15-6(14)12-8(5-13)4-9(8,10)11/h5H,4H2,1-3H3,(H,12,14)
InChIKey
LGLCQVYNBJIIDU-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-difluoro-1-formylcyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08635 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09363 152.0
[M+Na]+ 244.07557 159.6
[M+NH4]+ 239.12017 159.6
[M+K]+ 260.04951 154.8
[M-H]- 220.07907 155.1
[M+Na-2H]- 242.06102 158.7
[M]+ 221.08580 154.9
[M]- 221.08690 154.9
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

No patent data available for this compound.