CID 83855003

946488-78-4

Structural Information

Molecular Formula

C₅H₅ClF₂O

SMILES

C1C(CC1(F)F)C(=O)Cl

InChI

InChI=1S/C5H5ClF2O/c6-4(9)3-1-5(7,8)2-3/h3H,1-2H2

InChIKey

KGCHVYYLIWLLFD-UHFFFAOYSA-N

Compound name

3,3-difluorocyclobutane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 153.9997 Da
Monoisotopic Mass: 1.9
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]+	155.00698	120.2
[M+Na]+	176.98892	129.2
[M-H]-	152.99242	121.8
[M+NH4]+	172.03352	137.8
[M+K]+	192.96286	129.3
[M+H-H2O]+	136.99696	111.8
[M+HCOO]-	198.99790	135.9
[M+CH3COO]-	213.01355	177.7
[M+Na-2H]-	174.97437	125.7
[M]+	153.99915	127.2
[M]-	154.00025	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe