CID 12609

3-(trifluoromethyl)formanilide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

189.04015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 140.1
[M+Na]+ 212.02937 149.1
[M+NH4]+ 207.07397 145.9
[M+K]+ 228.00331 143.8
[M-H]- 188.03287 137.6
[M+Na-2H]- 210.01482 145.0
[M]+ 189.03960 140.4
[M]- 189.04070 140.4
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