CID 68040

3-fluoro-1-nitropropane

Structural Information

Molecular Formula

SMILES

C(C[N+](=O)[O-])CF

InChI

InChI=1S/C3H6FNO2/c4-2-1-3-5(6)7/h1-3H2

InChIKey

VTLREOOVLIJFTN-UHFFFAOYSA-N

Compound name

1-fluoro-3-nitropropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 107.03825 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	108.04553	116.2
[M+Na]+	130.02747	124.1
[M-H]-	106.03097	115.6
[M+NH4]+	125.07207	138.5
[M+K]+	146.00141	120.5
[M+H-H2O]+	90.035510	115.9
[M+HCOO]-	152.03645	141.3
[M+CH3COO]-	166.05210	162.2
[M+Na-2H]-	128.01292	125.0
[M]+	107.03770	114.3
[M]-	107.03880	114.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe