CID 6996

2-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H5ClO
SMILES
C1=CC=C(C(=C1)C=O)Cl
InChI
InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N
Compound name
2-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

96
References

17158
Patents

140.0029 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01018 122.2
[M+Na]+ 162.99212 137.5
[M+NH4]+ 158.03672 132.3
[M+K]+ 178.96606 129.7
[M-H]- 138.99562 125.1
[M+Na-2H]- 160.97757 131.1
[M]+ 140.00235 125.6
[M]- 140.00345 125.6
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