CID 2781071

N-(2,6-difluoro-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H6F2N2O3
SMILES
CC(=O)NC1=C(C=CC(=C1F)[N+](=O)[O-])F
InChI
InChI=1S/C8H6F2N2O3/c1-4(13)11-8-5(9)2-3-6(7(8)10)12(14)15/h2-3H,1H3,(H,11,13)
InChIKey
QWZBLFXPSOQZRQ-UHFFFAOYSA-N
Compound name
N-(2,6-difluoro-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

216.03465 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04193 137.6
[M+Na]+ 239.02387 146.2
[M-H]- 215.02737 139.5
[M+NH4]+ 234.06847 155.4
[M+K]+ 254.99781 140.3
[M+H-H2O]+ 199.03191 134.7
[M+HCOO]- 261.03285 162.0
[M+CH3COO]- 275.04850 184.3
[M+Na-2H]- 237.00932 143.2
[M]+ 216.03410 134.1
[M]- 216.03520 134.1
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