CID 79238

5-chlorosalicyl alcohol

Structural Information

Molecular Formula
C7H7ClO2
SMILES
C1=CC(=C(C=C1Cl)CO)O
InChI
InChI=1S/C7H7ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChIKey
AFPSETMCMFRVPG-UHFFFAOYSA-N
Compound name
4-chloro-2-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

158.01346 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02074 126.6
[M+Na]+ 181.00268 136.7
[M-H]- 157.00618 128.3
[M+NH4]+ 176.04728 147.6
[M+K]+ 196.97662 132.5
[M+H-H2O]+ 141.01072 123.2
[M+HCOO]- 203.01166 144.8
[M+CH3COO]- 217.02731 170.2
[M+Na-2H]- 178.98813 133.2
[M]+ 158.01291 127.7
[M]- 158.01401 127.7
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