CID 62942535

2-chloro-4-(3-nitrophenyl)thiazole

Structural Information

Molecular Formula
C9H5ClN2O2S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)Cl
InChI
InChI=1S/C9H5ClN2O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H
InChIKey
YKJLHPOQANIGHK-UHFFFAOYSA-N
Compound name
2-chloro-4-(3-nitrophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97603 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98331 147.7
[M+Na]+ 262.96525 157.2
[M-H]- 238.96875 154.0
[M+NH4]+ 258.00985 166.3
[M+K]+ 278.93919 148.6
[M+H-H2O]+ 222.97329 146.3
[M+HCOO]- 284.97423 164.4
[M+CH3COO]- 298.98988 180.9
[M+Na-2H]- 260.95070 152.0
[M]+ 239.97548 149.5
[M]- 239.97658 149.5
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.