CID 2735740

5-chloro-2-hydroxy-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC1=CC(=C(C=C1Cl)C=O)O
InChI
InChI=1S/C8H7ClO2/c1-5-2-8(11)6(4-10)3-7(5)9/h2-4,11H,1H3
InChIKey
TVDVRKLTHSTZTH-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

170.01346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 129.6
[M+Na]+ 193.00268 144.3
[M+NH4]+ 188.04728 138.5
[M+K]+ 208.97662 137.5
[M-H]- 169.00618 131.5
[M+Na-2H]- 190.98813 136.6
[M]+ 170.01291 132.5
[M]- 170.01401 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe