CID 84716054

1980026-21-8

Structural Information

Molecular Formula
C4H9F2NO
SMILES
CC(COC(F)F)N
InChI
InChI=1S/C4H9F2NO/c1-3(7)2-8-4(5)6/h3-4H,2,7H2,1H3
InChIKey
VSZAEVLSIWLMOL-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

125.06522 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 122.9
[M+Na]+ 148.05444 129.7
[M-H]- 124.05794 120.3
[M+NH4]+ 143.09904 144.5
[M+K]+ 164.02838 130.1
[M+H-H2O]+ 108.06248 116.5
[M+HCOO]- 170.06342 143.9
[M+CH3COO]- 184.07907 174.4
[M+Na-2H]- 146.03989 126.4
[M]+ 125.06467 119.3
[M]- 125.06577 119.3
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.