CID 45077430

70015-95-1

Structural Information

Molecular Formula

C₇H₂F₄N₂S

SMILES

C12=C(C(=C(C(=C1SC(=N2)N)F)F)F)F

InChI

InChI=1S/C7H2F4N2S/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h(H2,12,13)

InChIKey

MVIHWYQJGLQSIR-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrafluoro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.98749 Da
Monoisotopic Mass: 2.4
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]+	222.99477	132.9
[M+Na]+	244.97671	147.8
[M-H]-	220.98021	132.7
[M+NH4]+	240.02131	154.1
[M+K]+	260.95065	142.3
[M+H-H2O]+	204.98475	124.4
[M+HCOO]-	266.98569	149.8
[M+CH3COO]-	281.00134	147.0
[M+Na-2H]-	242.96216	134.4
[M]+	221.98694	132.0
[M]-	221.98804	132.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.