CID 16768608

2-fluoro-4-(thiophen-2-yl)benzaldehyde

Structural Information

Molecular Formula
C11H7FOS
SMILES
C1=CSC(=C1)C2=CC(=C(C=C2)C=O)F
InChI
InChI=1S/C11H7FOS/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-7H
InChIKey
ZKCVFPQLILCRNG-UHFFFAOYSA-N
Compound name
2-fluoro-4-thiophen-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

206.02016 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.027436 139.6
[M+Na]+ 229.009378 150.4
[M-H]- 205.012884 146.3
[M+NH4]+ 224.053983 161.4
[M+K]+ 244.983318 146.1
[M+H-H2O]+ 189.017420 133.2
[M+HCOO]- 251.018361 160.2
[M+CH3COO]- 265.034011 182.9
[M+Na-2H]- 226.994826 141.6
[M]+ 206.01961142 141.4
[M]- 206.02070858 141.4
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