CID 2759830

126535-89-5

Structural Information

Molecular Formula
C9H12F3NO4
SMILES
CC(C)(C)OC(=O)N=C(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C9H12F3NO4/c1-8(2,3)17-7(15)13-5(6(14)16-4)9(10,11)12/h1-4H3
InChIKey
YTUQDXZZTNBXKG-UHFFFAOYSA-N
Compound name
methyl 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

255.07184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07912 149.6
[M+Na]+ 278.06106 156.7
[M-H]- 254.06456 147.7
[M+NH4]+ 273.10566 167.2
[M+K]+ 294.03500 157.8
[M+H-H2O]+ 238.06910 142.5
[M+HCOO]- 300.07004 167.5
[M+CH3COO]- 314.08569 196.3
[M+Na-2H]- 276.04651 152.7
[M]+ 255.07129 149.7
[M]- 255.07239 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe