CID 4807

O-phthalaldehyde

Structural Information

Molecular Formula
C8H6O2
SMILES
C1=CC=C(C(=C1)C=O)C=O
InChI
InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
InChIKey
ZWLUXSQADUDCSB-UHFFFAOYSA-N
Compound name
phthalaldehyde
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1215
References

54005
Patents

134.03677 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04405 124.1
[M+Na]+ 157.02599 138.0
[M+NH4]+ 152.07059 133.0
[M+K]+ 172.99993 131.1
[M-H]- 133.02949 126.2
[M+Na-2H]- 155.01144 132.0
[M]+ 134.03622 126.7
[M]- 134.03732 126.7
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

patents stripe