CID 598814

2-chloro-3,4-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5ClO3
SMILES
C1=CC(=C(C(=C1C=O)Cl)O)O
InChI
InChI=1S/C7H5ClO3/c8-6-4(3-9)1-2-5(10)7(6)11/h1-3,10-11H
InChIKey
YUPJFIXFTKCVSF-UHFFFAOYSA-N
Compound name
2-chloro-3,4-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

171.99272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.999996 127.6
[M+Na]+ 194.981938 138.8
[M-H]- 170.985444 129.7
[M+NH4]+ 190.026543 148.2
[M+K]+ 210.955878 134.7
[M+H-H2O]+ 154.989980 124.2
[M+HCOO]- 216.990921 146.2
[M+CH3COO]- 231.006571 172.6
[M+Na-2H]- 192.967386 133.5
[M]+ 171.99217142 129.8
[M]- 171.99326858 129.8
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