CID 74153

2-nitrothiazole

Structural Information

Molecular Formula
C3H2N2O2S
SMILES
C1=CSC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C3H2N2O2S/c6-5(7)3-4-1-2-8-3/h1-2H
InChIKey
ALNUOSXDMYFQNQ-UHFFFAOYSA-N
Compound name
2-nitro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1308
Patents

129.9837 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.99098 119.7
[M+Na]+ 152.97292 128.7
[M-H]- 128.97642 123.0
[M+NH4]+ 148.01752 141.9
[M+K]+ 168.94686 123.8
[M+H-H2O]+ 112.98096 118.7
[M+HCOO]- 174.98190 141.6
[M+CH3COO]- 188.99755 161.3
[M+Na-2H]- 150.95837 126.4
[M]+ 129.98315 119.2
[M]- 129.98425 119.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe