CID 7131026

885524-73-2

Structural Information

Molecular Formula
C8H8ClNS
SMILES
C1CC1N=C(C2=CC=CS2)Cl
InChI
InChI=1S/C8H8ClNS/c9-8(10-6-3-4-6)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKey
OTDDOCSWRCZQEK-UHFFFAOYSA-N
Compound name
N-cyclopropylthiophene-2-carboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.00659 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.013866 130.8
[M+Na]+ 207.995808 140.7
[M-H]- 183.999314 139.7
[M+NH4]+ 203.040413 149.1
[M+K]+ 223.969748 136.8
[M+H-H2O]+ 168.003850 125.1
[M+HCOO]- 230.004791 148.7
[M+CH3COO]- 244.020441 184.7
[M+Na-2H]- 205.981256 133.8
[M]+ 185.00604142 135.7
[M]- 185.00713858 135.7
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.