CID 21573820

1-(3-chloro-4-methoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CC(C1=CC(=C(C=C1)OC)Cl)O
InChI
InChI=1S/C9H11ClO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6,11H,1-2H3
InChIKey
NVMUIQOGSCVYJM-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.04475 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.2
[M+Na]+ 209.03397 144.6
[M-H]- 185.03747 138.1
[M+NH4]+ 204.07857 155.8
[M+K]+ 225.00791 141.4
[M+H-H2O]+ 169.04201 131.2
[M+HCOO]- 231.04295 153.3
[M+CH3COO]- 245.05860 179.7
[M+Na-2H]- 207.01942 140.0
[M]+ 186.04420 138.3
[M]- 186.04530 138.3
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