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]+ 134.097566 128.2
[M+Na]+ 156.079508 134.4
[M-H]- 132.083014 127.2
[M+NH4]+ 151.124113 149.8
[M+K]+ 172.053448 134.5
[M+H-H2O]+ 116.087550 122.5
[M+HCOO]- 178.088491 150.4
[M+CH3COO]- 192.104141 176.7
[M+Na-2H]- 154.064956 132.3
[M]+ 133.08974142 126.7
[M]- 133.09083858 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