CID 40097458

2,2,2-trifluoroethyl n-(propan-2-yl)carbamate

Structural Information

Molecular Formula
C6H10F3NO2
SMILES
CC(C)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H10F3NO2/c1-4(2)10-5(11)12-3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKey
TZJZNKOMAYWGLJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

185.06636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.073636 135.5
[M+Na]+ 208.055578 142.4
[M-H]- 184.059084 132.1
[M+NH4]+ 203.100183 155.1
[M+K]+ 224.029518 142.6
[M+H-H2O]+ 168.063620 128.4
[M+HCOO]- 230.064561 154.3
[M+CH3COO]- 244.080211 183.3
[M+Na-2H]- 206.041026 139.2
[M]+ 185.06581142 132.3
[M]- 185.06690858 132.3
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

patents stripe