CID 121521

1683-93-8

Structural Information

Molecular Formula
C4H5ClFNO4
SMILES
CCOC(=O)C([N+](=O)[O-])(F)Cl
InChI
InChI=1S/C4H5ClFNO4/c1-2-11-3(8)4(5,6)7(9)10/h2H2,1H3
InChIKey
YJIOSGSMXRLKEC-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-2-fluoro-2-nitroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.98912 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99640 129.9
[M+Na]+ 207.97834 138.2
[M-H]- 183.98184 129.3
[M+NH4]+ 203.02294 149.8
[M+K]+ 223.95228 133.4
[M+H-H2O]+ 167.98638 130.9
[M+HCOO]- 229.98732 148.4
[M+CH3COO]- 244.00297 172.0
[M+Na-2H]- 205.96379 137.9
[M]+ 184.98857 131.0
[M]- 184.98967 131.0
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.