CID 57780940

(2-methyl-4-(trifluoromethyl)phenyl)methanamine

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

CC1=C(C=CC(=C1)C(F)(F)F)CN

InChI

InChI=1S/C9H10F3N/c1-6-4-8(9(10,11)12)3-2-7(6)5-13/h2-4H,5,13H2,1H3

InChIKey

VMJKHBXPGXRDHD-UHFFFAOYSA-N

Compound name

[2-methyl-4-(trifluoromethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 189.07654 Da
Monoisotopic Mass: 2.0
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]+	190.08382	136.3
[M+Na]+	212.06576	145.4
[M-H]-	188.06926	136.1
[M+NH4]+	207.11036	156.0
[M+K]+	228.03970	142.2
[M+H-H2O]+	172.07380	128.6
[M+HCOO]-	234.07474	156.4
[M+CH3COO]-	248.09039	185.7
[M+Na-2H]-	210.05121	141.1
[M]+	189.07599	131.0
[M]-	189.07709	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe