CID 240

Benzaldehyde

Structural Information

Molecular Formula
C7H6O
SMILES
C1=CC=C(C=C1)C=O
InChI
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey
HUMNYLRZRPPJDN-UHFFFAOYSA-N
Compound name
benzaldehyde
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2924
References

111869
Patents

106.04186 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.04914 116.0
[M+Na]+ 129.03108 124.6
[M-H]- 105.03458 120.1
[M+NH4]+ 124.07568 139.1
[M+K]+ 145.00502 123.3
[M+H-H2O]+ 89.039120 111.1
[M+HCOO]- 151.04006 141.8
[M+CH3COO]- 165.05571 166.5
[M+Na-2H]- 127.01653 125.6
[M]+ 106.04131 116.0
[M]- 106.04241 116.0
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