CID 2782588

107267-44-7

Structural Information

Molecular Formula

SMILES

C1=C(C(=C(C(=C1F)F)CCl)F)F

InChI

InChI=1S/C7H3ClF4/c8-2-3-6(11)4(9)1-5(10)7(3)12/h1H,2H2

InChIKey

NHCWIDIVEAKSAO-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-1,2,4,5-tetrafluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 197.98595 Da
Monoisotopic Mass: 2.7
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]+	198.99323	127.3
[M+Na]+	220.97517	140.2
[M-H]-	196.97867	126.8
[M+NH4]+	216.01977	148.4
[M+K]+	236.94911	135.2
[M+H-H2O]+	180.98321	120.1
[M+HCOO]-	242.98415	143.7
[M+CH3COO]-	256.99980	185.0
[M+Na-2H]-	218.96062	131.3
[M]+	197.98540	125.3
[M]-	197.98650	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe