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 138.7
[M+Na]+ 234.97033 151.4
[M-H]- 210.97383 143.3
[M+NH4]+ 230.01493 160.8
[M+K]+ 250.94427 146.2
[M+H-H2O]+ 194.97837 133.8
[M+HCOO]- 256.97931 156.1
[M+CH3COO]- 270.99496 153.4
[M+Na-2H]- 232.95578 144.4
[M]+ 211.98056 144.8
[M]- 211.98166 144.8
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.