CID 15652756

3-chloro-2-hydroxy-6-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC1=C(C(=C(C=C1)Cl)O)C=O
InChI
InChI=1S/C8H7ClO2/c1-5-2-3-7(9)8(11)6(5)4-10/h2-4,11H,1H3
InChIKey
LPMXSVMNUSEYPY-UHFFFAOYSA-N
Compound name
3-chloro-2-hydroxy-6-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 128.6
[M+Na]+ 193.00268 139.9
[M-H]- 169.00618 132.0
[M+NH4]+ 188.04728 150.1
[M+K]+ 208.97662 135.9
[M+H-H2O]+ 153.01072 125.1
[M+HCOO]- 215.01166 148.2
[M+CH3COO]- 229.02731 176.1
[M+Na-2H]- 190.98813 134.6
[M]+ 170.01291 131.6
[M]- 170.01401 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