CID 10011986

148628-50-6

Structural Information

Molecular Formula
C3H5F2NO3
SMILES
C(C(C(F)F)O)[N+](=O)[O-]
InChI
InChI=1S/C3H5F2NO3/c4-3(5)2(7)1-6(8)9/h2-3,7H,1H2
InChIKey
JQGMXHIVZNVQQF-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-nitropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

141.02374 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03102 120.8
[M+Na]+ 164.01296 127.8
[M-H]- 140.01646 117.5
[M+NH4]+ 159.05756 140.8
[M+K]+ 179.98690 124.1
[M+H-H2O]+ 124.02100 119.7
[M+HCOO]- 186.02194 141.7
[M+CH3COO]- 200.03759 165.4
[M+Na-2H]- 161.99841 126.2
[M]+ 141.02319 115.8
[M]- 141.02429 115.8
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

patents stripe