CID 165979594

N-(3-fluoropropyl)-n-methylcarbamoyl chloride

Structural Information

Molecular Formula
C5H9ClFNO
SMILES
CN(CCCF)C(=O)Cl
InChI
InChI=1S/C5H9ClFNO/c1-8(5(6)9)4-2-3-7/h2-4H2,1H3
InChIKey
GGPYMDWXOCOOAE-UHFFFAOYSA-N
Compound name
N-(3-fluoropropyl)-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.03568 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04296 128.0
[M+Na]+ 176.02490 135.9
[M-H]- 152.02840 128.5
[M+NH4]+ 171.06950 150.4
[M+K]+ 191.99884 134.9
[M+H-H2O]+ 136.03294 123.2
[M+HCOO]- 198.03388 147.6
[M+CH3COO]- 212.04953 180.3
[M+Na-2H]- 174.01035 132.9
[M]+ 153.03513 130.0
[M]- 153.03623 130.0
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.