CID 6365935

Einecs 282-132-0

Structural Information

Molecular Formula
C8H7ClOS
SMILES
C/C(=C(\C1=CC=CS1)/Cl)/C=O
InChI
InChI=1S/C8H7ClOS/c1-6(5-10)8(9)7-3-2-4-11-7/h2-5H,1H3/b8-6-
InChIKey
DEJITVOMCFNCDM-VURMDHGXSA-N
Compound name
(Z)-3-chloro-2-methyl-3-thiophen-2-ylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.99062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.997896 138.5
[M+Na]+ 208.979838 147.4
[M-H]- 184.983344 142.7
[M+NH4]+ 204.024443 161.4
[M+K]+ 224.953778 143.5
[M+H-H2O]+ 168.987880 134.4
[M+HCOO]- 230.988821 152.8
[M+CH3COO]- 245.004471 177.4
[M+Na-2H]- 206.965286 138.5
[M]+ 185.99007142 141.6
[M]- 185.99116858 141.6
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.