CID 19841592

1340588-46-6

Structural Information

Molecular Formula

C₈H₈F₃N₃O

SMILES

C1=CC(=CC=C1N=C(N)N)OC(F)(F)F

InChI

InChI=1S/C8H8F3N3O/c9-8(10,11)15-6-3-1-5(2-4-6)14-7(12)13/h1-4H,(H4,12,13,14)

InChIKey

RDOHBENOPULTBD-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethoxy)phenyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 219.06195 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.06923	141.3
[M+Na]+	242.05117	148.7
[M-H]-	218.05467	141.8
[M+NH4]+	237.09577	159.0
[M+K]+	258.02511	146.6
[M+H-H2O]+	202.05921	132.2
[M+HCOO]-	264.06015	164.2
[M+CH3COO]-	278.07580	194.9
[M+Na-2H]-	240.03662	146.2
[M]+	219.06140	134.7
[M]-	219.06250	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe