CID 68025

Acetamide, n-(2-chloroethyl)-2-fluoro-

Structural Information

Molecular Formula
C4H7ClFNO
SMILES
C(CCl)NC(=O)CF
InChI
InChI=1S/C4H7ClFNO/c5-1-2-7-4(8)3-6/h1-3H2,(H,7,8)
InChIKey
ZYJCQMHQFUNWMY-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-fluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.02002 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.02730 123.6
[M+Na]+ 162.00924 131.7
[M-H]- 138.01274 122.7
[M+NH4]+ 157.05384 145.9
[M+K]+ 177.98318 129.6
[M+H-H2O]+ 122.01728 119.2
[M+HCOO]- 184.01822 143.0
[M+CH3COO]- 198.03387 173.7
[M+Na-2H]- 159.99469 129.7
[M]+ 139.01947 124.0
[M]- 139.02057 124.0
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

patents stripe