CID 9207825

2,2,2-trifluoroethyl n-cyclopropylcarbamate

Structural Information

Molecular Formula
C6H8F3NO2
SMILES
C1CC1NC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H8F3NO2/c7-6(8,9)3-12-5(11)10-4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKey
RLMJVVPIHYUJDC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-cyclopropylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05800 129.3
[M+Na]+ 206.03994 138.1
[M-H]- 182.04344 130.2
[M+NH4]+ 201.08454 144.1
[M+K]+ 222.01388 136.0
[M+H-H2O]+ 166.04798 121.1
[M+HCOO]- 228.04892 149.6
[M+CH3COO]- 242.06457 184.1
[M+Na-2H]- 204.02539 135.2
[M]+ 183.05017 128.3
[M]- 183.05127 128.3
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

No patent data available for this compound.