CID 2774358

5-chloro-2-hydroxy-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC1=CC(=CC(=C1O)C=O)Cl
InChI
InChI=1S/C8H7ClO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3
InChIKey
NSKZAOKQZDLHGO-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

170.01346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.020736 128.6
[M+Na]+ 193.002678 139.9
[M-H]- 169.006184 132.0
[M+NH4]+ 188.047283 150.1
[M+K]+ 208.976618 135.9
[M+H-H2O]+ 153.010720 125.1
[M+HCOO]- 215.011661 148.2
[M+CH3COO]- 229.027311 176.1
[M+Na-2H]- 190.988126 134.6
[M]+ 170.01291142 131.6
[M]- 170.01400858 131.6
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