CID 178344113

4-(chloromethyl)-3-cyclopropylisothiazole

Structural Information

Molecular Formula
C7H8ClNS
SMILES
C1CC1C2=NSC=C2CCl
InChI
InChI=1S/C7H8ClNS/c8-3-6-4-10-9-7(6)5-1-2-5/h4-5H,1-3H2
InChIKey
OAWIKQVMTGMSMD-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-cyclopropyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.00659 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.013866 128.6
[M+Na]+ 195.995808 140.2
[M-H]- 171.999314 135.2
[M+NH4]+ 191.040413 146.1
[M+K]+ 211.969748 135.9
[M+H-H2O]+ 156.003850 122.7
[M+HCOO]- 218.004791 144.1
[M+CH3COO]- 232.020441 142.8
[M+Na-2H]- 193.981256 131.3
[M]+ 173.00604142 134.0
[M]- 173.00713858 134.0
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.