CID 335291

5-(chloromethyl)-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C8H7ClO2
SMILES
C1=CC(=C(C=C1CCl)C=O)O
InChI
InChI=1S/C8H7ClO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H,4H2
InChIKey
WFACWTZLXIFJCM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

170.01346 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 129.4
[M+Na]+ 193.00268 139.8
[M-H]- 169.00618 132.4
[M+NH4]+ 188.04728 150.6
[M+K]+ 208.97662 135.7
[M+H-H2O]+ 153.01072 125.5
[M+HCOO]- 215.01166 149.0
[M+CH3COO]- 229.02731 174.9
[M+Na-2H]- 190.98813 136.0
[M]+ 170.01291 132.0
[M]- 170.01401 132.0
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