CID 89276

1-chloro-3-(1-naphthyloxy)propan-2-ol

Structural Information

Molecular Formula
C13H13ClO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CCl)O
InChI
InChI=1S/C13H13ClO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2
InChIKey
ZVVJOJMCXYDDEW-UHFFFAOYSA-N
Compound name
1-chloro-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

236.06041 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06769 149.0
[M+Na]+ 259.04963 157.2
[M-H]- 235.05313 152.0
[M+NH4]+ 254.09423 168.1
[M+K]+ 275.02357 152.3
[M+H-H2O]+ 219.05767 143.8
[M+HCOO]- 281.05861 165.6
[M+CH3COO]- 295.07426 188.0
[M+Na-2H]- 257.03508 155.6
[M]+ 236.05986 152.1
[M]- 236.06096 152.1
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