CID 21354716

Schembl1529004

Structural Information

Molecular Formula
C8H7ClO2
SMILES
C1=CC(=C(C=C1CC=O)Cl)O
InChI
InChI=1S/C8H7ClO2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,4-5,11H,3H2
InChIKey
FSRXHEKHWQSSHF-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-hydroxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

170.01346 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.020736 129.4
[M+Na]+ 193.002678 139.8
[M-H]- 169.006184 132.4
[M+NH4]+ 188.047283 150.6
[M+K]+ 208.976618 135.7
[M+H-H2O]+ 153.010720 125.5
[M+HCOO]- 215.011661 149.0
[M+CH3COO]- 229.027311 174.9
[M+Na-2H]- 190.988126 136.0
[M]+ 170.01291142 132.0
[M]- 170.01400858 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