CID 960137

5-(4-methylphenyl)-2-furaldehyde

Structural Information

Molecular Formula
C12H10O2
SMILES
CC1=CC=C(C=C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C12H10O2/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-8H,1H3
InChIKey
RNXBPIBAPRFYIS-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

186.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 136.7
[M+Na]+ 209.05730 146.5
[M-H]- 185.06080 145.0
[M+NH4]+ 204.10190 157.3
[M+K]+ 225.03124 144.8
[M+H-H2O]+ 169.06534 131.0
[M+HCOO]- 231.06628 162.4
[M+CH3COO]- 245.08193 181.4
[M+Na-2H]- 207.04275 143.0
[M]+ 186.06753 139.6
[M]- 186.06863 139.6
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