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

13
Patents

192.0342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04148 136.1
[M+Na]+ 215.02342 146.5
[M-H]- 191.02692 139.8
[M+NH4]+ 210.06802 157.5
[M+K]+ 230.99736 141.1
[M+H-H2O]+ 175.03146 131.7
[M+HCOO]- 237.03240 154.2
[M+CH3COO]- 251.04805 150.1
[M+Na-2H]- 213.00887 144.4
[M]+ 192.03365 138.1
[M]- 192.03475 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