CID 54592847

Tert-butyl n-(2,2-difluorocyclopropyl)carbamate

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
CC(C)(C)OC(=O)NC1CC1(F)F
InChI
InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-5-4-8(5,9)10/h5H,4H2,1-3H3,(H,11,12)
InChIKey
NZWXSCJTYUJHFF-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-difluorocyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.09143 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.098706 136.3
[M+Na]+ 216.080648 145.9
[M-H]- 192.084154 138.9
[M+NH4]+ 211.125253 153.0
[M+K]+ 232.054588 144.7
[M+H-H2O]+ 176.088690 130.6
[M+HCOO]- 238.089631 156.5
[M+CH3COO]- 252.105281 187.9
[M+Na-2H]- 214.066096 142.2
[M]+ 193.09088142 138.1
[M]- 193.09197858 138.1
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