CID 24208784

208242-25-5

Structural Information

Molecular Formula

C₆H₇F₃O₂

SMILES

COC(=O)C1(CC1)C(F)(F)F

InChI

InChI=1S/C6H7F3O2/c1-11-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3

InChIKey

PAWUSHZXEZPDBE-UHFFFAOYSA-N

Compound name

methyl 1-(trifluoromethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 168.03981 Da
Monoisotopic Mass: 1.5
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]+	169.04709	143.4
[M+Na]+	191.02903	150.8
[M+NH4]+	186.07363	150.0
[M+K]+	207.00297	147.3
[M-H]-	167.03253	145.0
[M+Na-2H]-	189.01448	148.6
[M]+	168.03926	145.6
[M]-	168.04036	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe