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]+ 186.01387 130.8
[M+Na]+ 207.99581 140.7
[M-H]- 183.99931 139.7
[M+NH4]+ 203.04041 149.1
[M+K]+ 223.96975 136.8
[M+H-H2O]+ 168.00385 125.1
[M+HCOO]- 230.00479 148.7
[M+CH3COO]- 244.02044 184.7
[M+Na-2H]- 205.98126 133.8
[M]+ 185.00604 135.7
[M]- 185.00714 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.