CID 9733

N-isobutylfluoroacetamide

Structural Information

Molecular Formula
C6H12FNO
SMILES
CC(C)CNC(=O)CF
InChI
InChI=1S/C6H12FNO/c1-5(2)4-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
XUEZHSWVWDKYDA-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

133.09029 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09757 128.2
[M+Na]+ 156.07951 134.4
[M-H]- 132.08301 127.2
[M+NH4]+ 151.12411 149.8
[M+K]+ 172.05345 134.5
[M+H-H2O]+ 116.08755 122.5
[M+HCOO]- 178.08849 150.4
[M+CH3COO]- 192.10414 176.7
[M+Na-2H]- 154.06496 132.3
[M]+ 133.08974 126.7
[M]- 133.09084 126.7
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