CID 357877

4-(chloromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H7ClO
SMILES
C1=CC(=CC=C1CCl)C=O
InChI
InChI=1S/C8H7ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2
InChIKey
FNIFQOISPAAFQF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

154.01854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02582 126.4
[M+Na]+ 177.00776 136.3
[M-H]- 153.01126 130.3
[M+NH4]+ 172.05236 148.6
[M+K]+ 192.98170 132.6
[M+H-H2O]+ 137.01580 122.1
[M+HCOO]- 199.01674 147.2
[M+CH3COO]- 213.03239 174.5
[M+Na-2H]- 174.99321 134.2
[M]+ 154.01799 129.0
[M]- 154.01909 129.0
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