CID 75246

2-naphthoyl chloride

Structural Information

Molecular Formula
C11H7ClO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)Cl
InChI
InChI=1S/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
XNLBCXGRQWUJLU-UHFFFAOYSA-N
Compound name
naphthalene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

4318
Patents

190.01854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.025816 135.0
[M+Na]+ 213.007758 144.8
[M-H]- 189.011264 139.8
[M+NH4]+ 208.052363 156.6
[M+K]+ 228.981698 140.1
[M+H-H2O]+ 173.015800 130.2
[M+HCOO]- 235.016741 153.7
[M+CH3COO]- 249.032391 181.8
[M+Na-2H]- 210.993206 143.1
[M]+ 190.01799142 137.1
[M]- 190.01908858 137.1
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