CID 96496

40604-49-7

Structural Information

Molecular Formula
C10H7ClO
SMILES
C1=CC2=C(C=CC(=C2)Cl)C=C1O
InChI
InChI=1S/C10H7ClO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
InChIKey
CNLYNLSYCPWZQY-UHFFFAOYSA-N
Compound name
6-chloronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

178.01854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02582 131.3
[M+Na]+ 201.00776 142.2
[M-H]- 177.01126 135.2
[M+NH4]+ 196.05236 153.3
[M+K]+ 216.98170 137.0
[M+H-H2O]+ 161.01580 127.2
[M+HCOO]- 223.01674 149.8
[M+CH3COO]- 237.03239 145.8
[M+Na-2H]- 198.99321 140.1
[M]+ 178.01799 132.9
[M]- 178.01909 132.9
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