CID 26367084

57329-34-7

Structural Information

Molecular Formula
C10H7FO2
SMILES
CC1=C(OC2=C1C=C(C=C2)F)C=O
InChI
InChI=1S/C10H7FO2/c1-6-8-4-7(11)2-3-9(8)13-10(6)5-12/h2-5H,1H3
InChIKey
IILSMHPVXOCXOY-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

178.04301 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05029 129.9
[M+Na]+ 201.03223 142.7
[M-H]- 177.03573 135.4
[M+NH4]+ 196.07683 152.6
[M+K]+ 217.00617 140.7
[M+H-H2O]+ 161.04027 124.6
[M+HCOO]- 223.04121 155.1
[M+CH3COO]- 237.05686 180.7
[M+Na-2H]- 199.01768 137.7
[M]+ 178.04246 134.2
[M]- 178.04356 134.2
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

patents stripe