CID 7131456

1052550-07-8

Structural Information

Molecular Formula
C8H10ClN3O2S
SMILES
CC1=CSC(=N1)CC(=O)NNC(=O)CCl
InChI
InChI=1S/C8H10ClN3O2S/c1-5-4-15-8(10-5)2-6(13)11-12-7(14)3-9/h4H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKey
HGKVIUVUOSWVEB-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01822 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02550 153.0
[M+Na]+ 270.00744 160.7
[M-H]- 246.01094 155.8
[M+NH4]+ 265.05204 171.6
[M+K]+ 285.98138 157.0
[M+H-H2O]+ 230.01548 147.0
[M+HCOO]- 292.01642 168.1
[M+CH3COO]- 306.03207 191.5
[M+Na-2H]- 267.99289 153.5
[M]+ 247.01767 156.5
[M]- 247.01877 156.5
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.