CID 54370275

1071532-77-8

Structural Information

Molecular Formula
C11H10BrNO
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)Br)N
InChI
InChI=1S/C11H10BrNO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,13H2,1H3
InChIKey
USSBCQUPXPVJCB-UHFFFAOYSA-N
Compound name
6-bromo-2-methoxynaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

250.99458 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 146.4
[M+Na]+ 273.983798 158.9
[M-H]- 249.987304 153.6
[M+NH4]+ 269.028403 168.2
[M+K]+ 289.957738 147.2
[M+H-H2O]+ 233.991840 146.1
[M+HCOO]- 295.992781 168.1
[M+CH3COO]- 310.008431 194.1
[M+Na-2H]- 271.969246 154.5
[M]+ 250.99403142 165.1
[M]- 250.99512858 165.1
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