CID 57506662

848074-36-2

Structural Information

Molecular Formula

C₅H₄ClF₃O

SMILES

C1CC1(C(=O)Cl)C(F)(F)F

InChI

InChI=1S/C5H4ClF3O/c6-3(10)4(1-2-4)5(7,8)9/h1-2H2

InChIKey

UDPCIPDJGNJPBG-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)cyclopropane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 171.99028 Da
Monoisotopic Mass: 2.2
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]+	172.99756	120.8
[M+Na]+	194.97950	131.8
[M-H]-	170.98300	122.0
[M+NH4]+	190.02410	138.8
[M+K]+	210.95344	129.0
[M+H-H2O]+	154.98754	115.2
[M+HCOO]-	216.98848	135.5
[M+CH3COO]-	231.00413	179.4
[M+Na-2H]-	192.96495	127.8
[M]+	171.98973	121.0
[M]-	171.99083	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe