CID 540430

4'-nitro-2'-(trifluoromethyl)acetanilide

Structural Information

Molecular Formula
C9H7F3N2O3
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C9H7F3N2O3/c1-5(15)13-8-3-2-6(14(16)17)4-7(8)9(10,11)12/h2-4H,1H3,(H,13,15)
InChIKey
RBEVUHKSMGYLIF-UHFFFAOYSA-N
Compound name
N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

248.04088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04816 144.2
[M+Na]+ 271.03010 152.1
[M-H]- 247.03360 144.6
[M+NH4]+ 266.07470 160.6
[M+K]+ 287.00404 146.0
[M+H-H2O]+ 231.03814 140.6
[M+HCOO]- 293.03908 165.8
[M+CH3COO]- 307.05473 188.5
[M+Na-2H]- 269.01555 150.7
[M]+ 248.04033 138.9
[M]- 248.04143 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe