CID 28189

2-fluoro-2,2-dinitroethanol

Structural Information

Molecular Formula
C2H3FN2O5
SMILES
C(C([N+](=O)[O-])([N+](=O)[O-])F)O
InChI
InChI=1S/C2H3FN2O5/c3-2(1-6,4(7)8)5(9)10/h6H,1H2
InChIKey
DKSPPEUUPARRFY-UHFFFAOYSA-N
Compound name
2-fluoro-2,2-dinitroethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

154.0026 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00988 123.0
[M+Na]+ 176.99182 130.0
[M-H]- 152.99532 121.5
[M+NH4]+ 172.03642 154.0
[M+K]+ 192.96576 122.4
[M+H-H2O]+ 136.99986 127.5
[M+HCOO]- 199.00080 170.3
[M+CH3COO]- 213.01645 161.0
[M+Na-2H]- 174.97727 134.3
[M]+ 154.00205 118.2
[M]- 154.00315 118.2
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