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 142.3
[M+Na]+ 244.07557 152.4
[M-H]- 220.07907 145.1
[M+NH4]+ 239.12017 159.8
[M+K]+ 260.04951 151.7
[M+H-H2O]+ 204.08361 138.1
[M+HCOO]- 266.08455 162.2
[M+CH3COO]- 280.10020 191.6
[M+Na-2H]- 242.06102 149.2
[M]+ 221.08580 145.8
[M]- 221.08690 145.8
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.