CID 723600

3',5'-bis(trifluoromethyl)acetanilide

Structural Information

Molecular Formula
C10H7F6NO
SMILES
CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKey
XMKZELXFBZUGEY-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

82
Patents

271.04318 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.050456 151.0
[M+Na]+ 294.032398 160.4
[M-H]- 270.035904 147.5
[M+NH4]+ 289.077003 167.2
[M+K]+ 310.006338 156.9
[M+H-H2O]+ 254.040440 140.6
[M+HCOO]- 316.041381 166.0
[M+CH3COO]- 330.057031 199.2
[M+Na-2H]- 292.017846 154.1
[M]+ 271.04263142 142.5
[M]- 271.04372858 142.5
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