CID 21069851

2031260-46-3

Structural Information

Molecular Formula

C₉H₈F₃N₃

SMILES

C1=CC(=CC(=C1)C2(N=N2)C(F)(F)F)CN

InChI

InChI=1S/C9H8F3N3/c10-9(11,12)8(14-15-8)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2

InChIKey

MDQXHBVWVLDNDI-UHFFFAOYSA-N

Compound name

[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 215.06703 Da
Monoisotopic Mass: 1.8
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]+	216.07431	148.9
[M+Na]+	238.05625	158.7
[M+NH4]+	233.10085	155.5
[M+K]+	254.03019	154.0
[M-H]-	214.05975	152.9
[M+Na-2H]-	236.04170	157.7
[M]+	215.06648	152.2
[M]-	215.06758	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe