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

66
Patents

171.99272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00000 127.6
[M+Na]+ 194.98194 138.8
[M-H]- 170.98544 129.7
[M+NH4]+ 190.02654 148.2
[M+K]+ 210.95588 134.7
[M+H-H2O]+ 154.98998 124.2
[M+HCOO]- 216.99092 146.2
[M+CH3COO]- 231.00657 172.6
[M+Na-2H]- 192.96739 133.5
[M]+ 171.99217 129.8
[M]- 171.99327 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