CID 45942

2-naphthol, tetrabromo-

Structural Information

Molecular Formula
C10H4Br4O
SMILES
C1=CC2=C(C(=C1)Br)C(=C(C(=C2Br)O)Br)Br
InChI
InChI=1S/C10H4Br4O/c11-5-3-1-2-4-6(5)8(13)9(14)10(15)7(4)12/h1-3,15H
InChIKey
CBWVQYUBPQVQAG-UHFFFAOYSA-N
Compound name
1,3,4,5-tetrabromonaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.6996 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.70688 149.2
[M+Na]+ 478.68882 155.6
[M-H]- 454.69232 153.3
[M+NH4]+ 473.73342 159.5
[M+K]+ 494.66276 143.0
[M+H-H2O]+ 438.69686 167.6
[M+HCOO]- 500.69780 154.4
[M+CH3COO]- 514.71345 157.0
[M+Na-2H]- 476.67427 152.2
[M]+ 455.69905 187.8
[M]- 455.70015 187.8
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

No patent data available for this compound.