CID 3359249

N-(4-chloro-1,3-benzothiazol-2-yl)formamide

Structural Information

Molecular Formula
C8H5ClN2OS
SMILES
C1=CC2=C(C(=C1)Cl)N=C(S2)NC=O
InChI
InChI=1S/C8H5ClN2OS/c9-5-2-1-3-6-7(5)11-8(13-6)10-4-12/h1-4H,(H,10,11,12)
InChIKey
NJETYQXTSMIMTM-UHFFFAOYSA-N
Compound name
N-(4-chloro-1,3-benzothiazol-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.98111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98839 139.6
[M+Na]+ 234.97033 153.7
[M+NH4]+ 230.01493 149.4
[M+K]+ 250.94427 145.8
[M-H]- 210.97383 142.4
[M+Na-2H]- 232.95578 146.5
[M]+ 211.98056 143.2
[M]- 211.98166 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.