CID 19575

1-naphthyl chloroformate

Structural Information

Molecular Formula
C11H7ClO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)Cl
InChI
InChI=1S/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
JRUFQZPDRRGHEF-UHFFFAOYSA-N
Compound name
naphthalen-1-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

211
Patents

206.01346 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02074 138.3
[M+Na]+ 229.00268 148.2
[M-H]- 205.00618 143.2
[M+NH4]+ 224.04728 159.3
[M+K]+ 244.97662 144.1
[M+H-H2O]+ 189.01072 133.3
[M+HCOO]- 251.01166 157.3
[M+CH3COO]- 265.02731 183.1
[M+Na-2H]- 226.98813 146.5
[M]+ 206.01291 141.8
[M]- 206.01401 141.8
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