CID 11477

3-chlorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

15
References

12228
Patents

140.0029 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.010176 121.6
[M+Na]+ 162.992118 131.9
[M-H]- 138.995624 125.7
[M+NH4]+ 158.036723 144.4
[M+K]+ 178.966058 128.5
[M+H-H2O]+ 123.000160 117.6
[M+HCOO]- 185.001101 142.8
[M+CH3COO]- 199.016751 171.5
[M+Na-2H]- 160.977566 130.0
[M]+ 140.00235142 123.9
[M]- 140.00344858 123.9
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