CID 382490

Nsc670096

Structural Information

Molecular Formula
C7H8F5NO2
SMILES
CCOC(=O)N(C)C(=C(F)F)C(F)(F)F
InChI
InChI=1S/C7H8F5NO2/c1-3-15-6(14)13(2)4(5(8)9)7(10,11)12/h3H2,1-2H3
InChIKey
PLGZDWIMJGCHPX-UHFFFAOYSA-N
Compound name
ethyl N-methyl-N-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.04752 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05480 143.0
[M+Na]+ 256.03674 150.0
[M-H]- 232.04024 138.3
[M+NH4]+ 251.08134 161.0
[M+K]+ 272.01068 150.3
[M+H-H2O]+ 216.04478 133.8
[M+HCOO]- 278.04572 159.1
[M+CH3COO]- 292.06137 194.8
[M+Na-2H]- 254.02219 143.2
[M]+ 233.04697 137.4
[M]- 233.04807 137.4
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.