CID 2775771

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

Structural Information

Molecular Formula
C9H7F3N2O4
SMILES
CC(=O)NC1=C(C=C(C=C1)OC(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15)
InChIKey
UCLBQTSVYJDQRU-UHFFFAOYSA-N
Compound name
N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.0358 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04308 147.2
[M+Na]+ 287.02502 154.9
[M-H]- 263.02852 147.5
[M+NH4]+ 282.06962 162.8
[M+K]+ 302.99896 149.2
[M+H-H2O]+ 247.03306 143.3
[M+HCOO]- 309.03400 168.9
[M+CH3COO]- 323.04965 190.6
[M+Na-2H]- 285.01047 153.9
[M]+ 264.03525 143.2
[M]- 264.03635 143.2
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