CID 312949

Ethyl 2-diazo-3,3,3-trifluoro-propionate

Structural Information

Molecular Formula
C5H5F3N2O2
SMILES
CCOC(=O)C(=[N+]=[N-])C(F)(F)F
InChI
InChI=1S/C5H5F3N2O2/c1-2-12-4(11)3(10-9)5(6,7)8/h2H2,1H3
InChIKey
GXFLKLPWJHICEV-UHFFFAOYSA-N
Compound name
ethyl 2-diazo-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

182.03032 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03760 129.8
[M+Na]+ 205.01954 137.5
[M-H]- 181.02304 128.0
[M+NH4]+ 200.06414 149.5
[M+K]+ 220.99348 132.8
[M+H-H2O]+ 165.02758 127.5
[M+HCOO]- 227.02852 152.6
[M+CH3COO]- 241.04417 177.9
[M+Na-2H]- 203.00499 137.1
[M]+ 182.02977 124.2
[M]- 182.03087 124.2
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