CID 42465

6-chloro-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C10H7ClO2
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)C=O
InChI
InChI=1S/C10H7ClO2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-5H,6H2
InChIKey
VCRXKYYFRXENHC-UHFFFAOYSA-N
Compound name
6-chloro-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.01346 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02074 134.9
[M+Na]+ 217.00268 145.4
[M-H]- 193.00618 140.5
[M+NH4]+ 212.04728 155.4
[M+K]+ 232.97662 142.3
[M+H-H2O]+ 177.01072 130.2
[M+HCOO]- 239.01166 152.8
[M+CH3COO]- 253.02731 181.4
[M+Na-2H]- 214.98813 144.0
[M]+ 194.01291 138.2
[M]- 194.01401 138.2
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