CID 12668555

1131-75-5

Structural Information

Molecular Formula

C₇H₃FN₂O₂S

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)F

InChI

InChI=1S/C7H3FN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H

InChIKey

SIWVINOOVIDLFI-UHFFFAOYSA-N

Compound name

2-fluoro-6-nitro-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.98993 Da
Monoisotopic Mass: 2.9
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]+	198.99721	131.8
[M+Na]+	220.97915	143.1
[M-H]-	196.98265	135.3
[M+NH4]+	216.02375	152.8
[M+K]+	236.95309	135.8
[M+H-H2O]+	180.98719	130.0
[M+HCOO]-	242.98813	152.8
[M+CH3COO]-	257.00378	175.3
[M+Na-2H]-	218.96460	139.2
[M]+	197.98938	133.0
[M]-	197.99048	133.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.