CID 7001

1-bromonaphthalene

Structural Information

Molecular Formula
C10H7Br
SMILES
C1=CC=C2C(=C1)C=CC=C2Br
InChI
InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
DLKQHBOKULLWDQ-UHFFFAOYSA-N
Compound name
1-bromonaphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

43
References

13850
Patents

205.97311 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98039 134.5
[M+Na]+ 228.96233 146.9
[M-H]- 204.96583 142.0
[M+NH4]+ 224.00693 158.2
[M+K]+ 244.93627 135.7
[M+H-H2O]+ 188.97037 135.4
[M+HCOO]- 250.97131 156.2
[M+CH3COO]- 264.98696 150.7
[M+Na-2H]- 226.94778 145.5
[M]+ 205.97256 152.6
[M]- 205.97366 152.6
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