CID 12749144

(4-chloronaphthalen-1-yl)methanol

Structural Information

Molecular Formula
C11H9ClO
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)CO
InChI
InChI=1S/C11H9ClO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7H2
InChIKey
YJGYJNTZRNCUIG-UHFFFAOYSA-N
Compound name
(4-chloronaphthalen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

192.0342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.041476 136.1
[M+Na]+ 215.023418 146.5
[M-H]- 191.026924 139.8
[M+NH4]+ 210.068023 157.5
[M+K]+ 230.997358 141.1
[M+H-H2O]+ 175.031460 131.7
[M+HCOO]- 237.032401 154.2
[M+CH3COO]- 251.048051 150.1
[M+Na-2H]- 213.008866 144.4
[M]+ 192.03365142 138.1
[M]- 192.03474858 138.1
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