CID 145434

Trifluoromethylisocyanide

Structural Information

Molecular Formula

SMILES

[C-]#[N+]C(F)(F)F

InChI

InChI=1S/C2F3N/c1-6-2(3,4)5

InChIKey

LKHQVUSYAMWNQZ-UHFFFAOYSA-N

Compound name

trifluoro(isocyano)methane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 53
Patents: 94.99828 Da
Monoisotopic Mass: 1.1
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]+	96.005556	109.7
[M+Na]+	117.98750	120.2
[M-H]-	93.991004	106.4
[M+NH4]+	113.03210	130.0
[M+K]+	133.96144	115.5
[M+H-H2O]+	77.995540	102.4
[M+HCOO]-	139.99648	126.4
[M+CH3COO]-	154.01213	170.5
[M+Na-2H]-	115.97295	118.6
[M]+	94.997731	97.7
[M]-	94.998829	97.7

Literature stripe

literature stripe

Patent stripe

patents stripe