CID 700305

309265-27-8

Structural Information

Molecular Formula
C12H9ClO2
SMILES
CC1=C(C=CC=C1Cl)C2=CC=C(O2)C=O
InChI
InChI=1S/C12H9ClO2/c1-8-10(3-2-4-11(8)13)12-6-5-9(7-14)15-12/h2-7H,1H3
InChIKey
WVIQFOCEIZPVHZ-UHFFFAOYSA-N
Compound name
5-(3-chloro-2-methylphenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

220.02911 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.036386 144.5
[M+Na]+ 243.018328 156.0
[M-H]- 219.021834 152.8
[M+NH4]+ 238.062933 164.8
[M+K]+ 258.992268 152.2
[M+H-H2O]+ 203.026370 139.5
[M+HCOO]- 265.027311 165.4
[M+CH3COO]- 279.042961 186.3
[M+Na-2H]- 241.003776 149.4
[M]+ 220.02856142 149.7
[M]- 220.02965858 149.7
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

No patent data available for this compound.