CID 3587171

5-(4-methylphenyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C12H10OS
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)C=O
InChI
InChI=1S/C12H10OS/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-8H,1H3
InChIKey
CNHGZKBPLKLVSD-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

202.04524 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 141.8
[M+Na]+ 225.03446 152.2
[M-H]- 201.03796 149.8
[M+NH4]+ 220.07906 163.9
[M+K]+ 241.00840 148.1
[M+H-H2O]+ 185.04250 136.2
[M+HCOO]- 247.04344 163.2
[M+CH3COO]- 261.05909 183.2
[M+Na-2H]- 223.01991 143.9
[M]+ 202.04469 145.1
[M]- 202.04579 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe