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

7
Patents

193.09143 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09871 136.3
[M+Na]+ 216.08065 145.9
[M-H]- 192.08415 138.9
[M+NH4]+ 211.12525 153.0
[M+K]+ 232.05459 144.7
[M+H-H2O]+ 176.08869 130.6
[M+HCOO]- 238.08963 156.5
[M+CH3COO]- 252.10528 187.9
[M+Na-2H]- 214.06610 142.2
[M]+ 193.09088 138.1
[M]- 193.09198 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