CID 18071423

4-(chloromethyl)-2-cyclopropyl-1,3-thiazole

Structural Information

Molecular Formula
C7H8ClNS
SMILES
C1CC1C2=NC(=CS2)CCl
InChI
InChI=1S/C7H8ClNS/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-3H2
InChIKey
FHFDCVQKFCNASK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-cyclopropyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

173.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01387 128.6
[M+Na]+ 195.99581 140.2
[M-H]- 171.99931 135.2
[M+NH4]+ 191.04041 146.1
[M+K]+ 211.96975 135.9
[M+H-H2O]+ 156.00385 122.7
[M+HCOO]- 218.00479 144.1
[M+CH3COO]- 232.02044 142.8
[M+Na-2H]- 193.98126 131.3
[M]+ 173.00604 134.0
[M]- 173.00714 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

patents stripe