CID 74684

4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H6F3NO
SMILES
C1=CC(=CC=C1C(=O)N)C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey
WEJHBEDHLLBJFW-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1622
Patents

189.04015 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 140.2
[M+Na]+ 212.02937 148.6
[M+NH4]+ 207.07397 145.7
[M+K]+ 228.00331 144.2
[M-H]- 188.03287 137.3
[M+Na-2H]- 210.01482 144.3
[M]+ 189.03960 140.2
[M]- 189.04070 140.2
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