CID 345386

4-(trifluoromethyl)formanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

189.04015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 133.2
[M+Na]+ 212.02937 142.1
[M-H]- 188.03287 133.4
[M+NH4]+ 207.07397 152.7
[M+K]+ 228.00331 139.3
[M+H-H2O]+ 172.03741 125.2
[M+HCOO]- 234.03835 154.8
[M+CH3COO]- 248.05400 183.3
[M+Na-2H]- 210.01482 140.4
[M]+ 189.03960 129.0
[M]- 189.04070 129.0
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